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CAS: 92-24-0 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003702 InChI Key: IFLREYGFSNHWGE-UHFFFAOYSA-N Synonym: 2,3-benzanthracene, 2,3-benzanthrene, benz b anthracene, ccris 1183, chrysogen, hydrocarbon, naphthacene, rubene, unii-qyj5z6712r PubChem CID: 7080 ChEBI: CHEBI:32600 IUPAC Name: tetracene SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1
CAS: 29702-43-0 Molecular Formula: C6H11FO5 Molecular Weight (g/mol): 182.147 MDL Number: MFCD00077527 InChI Key: AOYNUTHNTBLRMT-SLPGGIOYSA-N Synonym: 2-Deoxy-2-fluoro-D-glucose PubChem CID: 170049 ChEBI: CHEBI:49135 IUPAC Name: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal SMILES: C(C(C(C(C(C=O)F)O)O)O)O
CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercapto benzoic acid, 4-mercapto-benzoic acid, 4-mercaptobenzoate, 4-mercaptobenzoic acid, 4-thiobenzoic acid, benzoic acid, 4-mercapto, benzoic acid, p-mercapto, p-mercaptobenzoic acid, para-mercaptobenzoate, paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=C(S)C=C1
CAS: 583-69-7 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD00041747 InChI Key: REFDOIWRJDGBHY-UHFFFAOYSA-N Synonym: 1,4-benzenediol, 2-bromo, 2-bromo-1,4-benzenediol, 2-bromo-benzene-1,4-diol, 2-bromohydroquinone, 2-bromoquinol, 4-hydroxy bromophenol, bromohydroquinone, bromoquinol, hydroquinone, bromo PubChem CID: 68502 IUPAC Name: 2-bromobenzene-1,4-diol SMILES: C1=CC(=C(C=C1O)Br)O
CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.408 MDL Number: MFCD09752074 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L PubChem CID: 656846 ChEBI: CHEBI:2911 IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]
CAS: 5451-09-2 Molecular Formula: C5H10ClNO3 Molecular Weight (g/mol): 167.59 MDL Number: MFCD00012869 InChI Key: ZLHFONARZHCSET-UHFFFAOYSA-N Synonym: 5-amino-4-oxopentanoic acid hydrochloride, 5-aminolevulinate hydrochloride, 5-aminolevulinic acid hydrochloride, ameluz, aminolevulinic acid hcl, aminolevulinic acid hydrochloride, delta-aminolevulinic acid hydrochloride, gliolan, levulan, levulan kerastick PubChem CID: 123608 IUPAC Name: 5-amino-4-oxopentanoic acid;hydrochloride SMILES: C(CC(=O)O)C(=O)CN.Cl
CAS: 1191-99-7 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00003205 InChI Key: JKTCBAGSMQIFNL-UHFFFAOYSA-N Synonym: 2,3 dihydrofuran, 2,3-dihydro-furan, 2,3-dihydrofurane, 2,3dihydrofuran, 4,5-dihydrofuran, dihydrofuran, dihydrofurane, furan, 2,3-dihydro, furan, dihydro, furan,3-dihydro PubChem CID: 70934 ChEBI: CHEBI:51662 IUPAC Name: 2,3-dihydrofuran SMILES: C1CC=CO1
CAS: 626-05-1 Molecular Formula: C5H3Br2N Molecular Weight (g/mol): 236.894 MDL Number: MFCD00006223 InChI Key: FEYDZHNIIMENOB-UHFFFAOYSA-N Synonym: 2, 6-dibromopyridine, 2,6 dibromopyridine, 2,6-dibromo pyridine, 2,6-dibromo-pyridine, 2,6-dibrompyridine, 2,6dibromopyridine, 2.6-dibromopyridine, acmc-209n5v, pubchem3204, pyridine, 2,6-dibromo PubChem CID: 12274 IUPAC Name: 2,6-dibromopyridine SMILES: C1=CC(=NC(=C1)Br)Br
CAS: 89823-23-4 Molecular Formula: C22H23NO3 Molecular Weight (g/mol): 349.43 MDL Number: MFCD16293619 InChI Key: IGHSOWSFSFGPAZ-UHFFFAOYSA-N PubChem CID: 11416795 IUPAC Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate SMILES: C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
CAS: 7368-78-7 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.035 MDL Number: MFCD00051937 InChI Key: WHSIIJQOEGXWSN-UHFFFAOYSA-N Synonym: 2-methoxy-4-bromophenol, 4-bromo-2-methoxy-phenol, 4-bromoguaiacol, 5-bromguajacol, 5-bromo-2-hydroxyanisole, 5-bromoguaiacol, 5bromoguaiacol, acmc-209orr, phenol, 4-bromo-2-methoxy, pubchem17271 PubChem CID: 262234 IUPAC Name: 4-bromo-2-methoxyphenol SMILES: COC1=C(C=CC(=C1)Br)O
CAS: 3817-11-6 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.24 MDL Number: MFCD00059008 InChI Key: DIKPQFXYECAYPC-UHFFFAOYSA-N Synonym: N-Butyl-N-butan-4-ol-nitrosamine, N-Butyl-N-nitroso-4-aminobutanol, BBN PubChem CID: 19665 IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amide SMILES: CCCCN(CCCCO)N=O
CAS: 1120-71-4 Molecular Formula: C3H6O3S Molecular Weight (g/mol): 122.14 MDL Number: MFCD00005355 InChI Key: FSSPGSAQUIYDCN-UHFFFAOYSA-N Synonym: .gamma.-propane sultone, 1,2-oxathiolane 2,2-dioxide, 1,2-oxathiolane, 2,2-dioxide, 1,3-propane sultone, 1,3-propanesultone, 3-hydroxy-1-propanesulfonic acid gamma-sultone, propane sultone, propanesultone, rcra waste number u193, unii-l6ntk7vjx9 PubChem CID: 14264 ChEBI: CHEBI:82370 IUPAC Name: 1,2λ⁶-oxathiolane-2,2-dione SMILES: O=S1(=O)CCCO1
CAS: 1499-10-1 Molecular Formula: C26H18 Molecular Weight (g/mol): 330.43 MDL Number: MFCD00001253 InChI Key: FCNCGHJSNVOIKE-UHFFFAOYSA-N Synonym: 51bq8iyq9u, 9, 9-diphenylanthracene, 9,10-diphenyl anthracene, 9,10-diphenylanthracene, 9,10-diphenylanthracene 1g, 9,10-diphenylanthracene, analytical standard, acmc-1brsc, anthracene, 9,10-diphenyl, anthracene,10-diphenyl, unii-51bq8iyq9u PubChem CID: 15159 ChEBI: CHEBI:51676 IUPAC Name: 9,10-diphenylanthracene SMILES: C1=CC=C(C=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C2)C2=CC=CC=C12
CAS: 625-08-1 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00059081 InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-butanoic acid, 3-hydroxy-3-methylbutyric acid, 3-hydroxy-isovaleric acid, 3-hydroxyisovaleric acid, 3-oh-isovaleric acid, b-hydroxyisovaleric acid, beta-hydroxy-beta-methylbutyrate, beta-hydroxyisovaleric acid, butanoic acid, 3-hydroxy-3-methyl, hmb-d6 PubChem CID: 69362 ChEBI: CHEBI:37084 IUPAC Name: 3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(O)CC(O)=O
CAS: 872578-72-8 Molecular Formula: C22H31N3O13 Molecular Weight (g/mol): 545.50 MDL Number: MFCD15072176 InChI Key: HWBFEVWOQMUQIE-UHFFFAOYNA-N Synonym: 4-Nitrophenyl 2-Acetamido-2-deoxy-4-O-(2-acetamido-2-deoxy-beta-D-galactopyranosyl)-beta-D-glucopyranoside PubChem CID: 53384361 IUPAC Name: N-(2-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide SMILES: CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(C)=O)C(OC2=CC=C(C=C2)[N+]([O-])=O)OC1CO
CAS: 19351-18-9 Molecular Formula: C5H12ClNS Molecular Weight (g/mol): 153.67 MDL Number: MFCD00014488 InChI Key: NKPNSVCEUIECCA-UHFFFAOYSA-N PubChem CID: 88015 IUPAC Name: hydrogen 2,2-dimethyl-1,3-thiazolidine chloride SMILES: [H+].[Cl-].CC1(C)NCCS1
CAS: 1222-98-6 Molecular Formula: C15H11NO3 Molecular Weight (g/mol): 253.257 MDL Number: MFCD00007382 InChI Key: WDZGGAFMGIOIQS-DHZHZOJOSA-N PubChem CID: 5377323 IUPAC Name: (E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
CAS: 947-42-2 Molecular Formula: C12H12O2Si Molecular Weight (g/mol): 216.311 MDL Number: MFCD00002101 InChI Key: OLLFKUHHDPMQFR-UHFFFAOYSA-N Synonym: difenyl-dihydroxysilan, difenyl-dihydroxysilan czech, dihydroxy diphenyl silane, diphenyldihydroxysilane, diphenylsilandiol, diphenylsilanediol, silane, dihydroxydiphenyl, silanediol, 1,1-diphenyl, silanediol, diphenyl, unii-36x37p8nbb PubChem CID: 13693 IUPAC Name: dihydroxy(diphenyl)silane SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(O)O
CAS: 64485-93-4 Molecular Formula: C16H16N5NaO7S2 Molecular Weight (g/mol): 477.44 MDL Number: MFCD00079073 InChI Key: AZZMGZXNTDTSME-JUZDKLSSSA-M Synonym: 6r-6-a,7-b z-3-acetyloxy methyl-7-2-amino-4-thiazolyl methoxyimio acetyl amino-8-oxo-5-thia-1-azabicyclo 4,2,0 oct-2-ene-2-carboxylic acid, sodium salt, cefoperazone sodium salt u.s.p., cefotaxime sodium, sodium 3-acetyloxy methyl-7-2-amino-1,3-thiazol-4-yl methoxyimino acetyl amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2, sodium 3-acetyloxymethyl-7-2-2-amino-4-thiazolyl-2-methoxyimino-1-oxoethyl amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate, sodium 3-acetyloxymethyl-7-2-2-azanyl-1,3-thiazol-4-yl-2-methoxyimino-ethanoyl amino-8-oxidanylidene-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate, sodium 6r,7r-3-acetyloxy methyl-7-2-2-amino-1,3-thiazol-4-yl-2-methoxyimino acetamido-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylate PubChem CID: 88631411 IUPAC Name: sodium (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
CAS: 81-86-7 Molecular Formula: C12H5BrO3 Molecular Weight (g/mol): 277.073 MDL Number: MFCD00006927 InChI Key: DTUOTSLAFJCQHN-UHFFFAOYSA-N Synonym: 4-Bromo-1,8-naphthalenedicarboxylic Anhydride PubChem CID: 66493 SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br
CAS: 18107-18-1 Molecular Formula: C4H10N2Si Molecular Weight (g/mol): 114.223 MDL Number: MFCD00053946 InChI Key: ONDSBJMLAHVLMI-UHFFFAOYSA-N Synonym: diazomethyl trimethyl silane, diazomethyl trimethylsilane, diazomethyl-trimethyl-silane, qi98hqo8c4, silane, diazomethyl trimethyl, tms-diazomethane, tmschn2, trimethylsilyl diazomethane, trimethylsilyldiazomethane, unii-qi98hqo8c4 PubChem CID: 167693 IUPAC Name: diazomethyl(trimethyl)silane SMILES: C[Si](C)(C)C=[N+]=[N-]
CAS: 776-35-2 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00001164 InChI Key: XXPBFNVKTVJZKF-UHFFFAOYSA-N Synonym: 9,10-dihydro-phenanthrene, 9,10-dihydrophenanthrene, acmc-1ba4q, brm9tu2f34, dihydrophenanthrene, phenanthrene, 9,10-dihydro, phenanthrene, 9,10-dihydro-8ci 9ci, phenanthrene,9,10-dihydro, unii-brm9tu2f34 PubChem CID: 13058 IUPAC Name: 9,10-dihydrophenanthrene SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31
CAS: 109431-87-0 Molecular Formula: C9H17NO3 Molecular Weight (g/mol): 187.24 MDL Number: MFCD01317838 InChI Key: APCBTRDHCDOPNY-UHFFFAOYNA-N Synonym: r---boc-3-pyrrolidinol, r---n-boc-3-pyrrolidinol, r-1-boc-3-hydroxypyrrolidine, r-1-n-boc-3-hydroxypyrrolidine, r-bochp, r-n-boc-3-hydropyrrolidine, r-n-boc-3-pyrrolidinol, r-n-tert-butoxycarbonyl-3-hydroxypyrrolidine, r-tert-butyl 3-hydroxypyrrolidine-1-carboxylate, tert-butyl 3r-3-hydroxypyrrolidine-1-carboxylate PubChem CID: 6544479 IUPAC Name: tert-butyl 3-hydroxypyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(O)C1
CAS: 3363-97-1 Molecular Formula: C22H14O4 Molecular Weight (g/mol): 342.35 MDL Number: MFCD00039561 InChI Key: FUEGWHHUYNHBNI-UHFFFAOYSA-N Synonym: 1,4-Bis(benzoylcarbonyl)benzene PubChem CID: 137905 IUPAC Name: 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=C(C=C1)C(=O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1
CAS: 60940-34-3 Molecular Formula: C13H9NOSe Molecular Weight (g/mol): 274.192 MDL Number: MFCD00210937 InChI Key: DYEFUKCXAQOFHX-UHFFFAOYSA-N Synonym: 2-phenyl-1,2-benzisoselenazol-3 2h-one, ebselen, ebselen inn, ebselene, ebselene french, ebseleno, ebseleno spanish, ebselenum, ebselenum latin, harmokisane PubChem CID: 3194 ChEBI: CHEBI:77543 IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
CAS: 838-85-7 Molecular Formula: C12H11O4P Molecular Weight (g/mol): 250.19 MDL Number: MFCD00003033 InChI Key: ASMQGLCHMVWBQR-UHFFFAOYSA-N Synonym: diphenoxyphosphinic acid, diphenyl phosphate, diphenylphosphoric acid, dsstox_cid_28182, phenyl hydrogen phosphate, phenyl phosphate pho 2 ho po, phosphoric acid diphenyl, phosphoric acid diphenyl ester, phosphoric acid, diphenyl ester PubChem CID: 13282 IUPAC Name: diphenoxyphosphinic acid SMILES: OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
CAS: 81290-20-2 Molecular Formula: C5H11F3Si Molecular Weight (g/mol): 156.22 MDL Number: MFCD00145454 InChI Key: MTYSDPUZDZURPP-UHFFFAOYSA-N Synonym: ruppert's reagent, ruppert-prakash reagent, silane, trimethyl trifluoromethyl, tfmtms, tms-cf3, trifluoromethyl trimethylsilane, trifluoromethyltrimethylsilane, trimethyl trifluoromethyl silane, trimethylsilyl trifluoromethane, unii-a009786qpj PubChem CID: 552549 IUPAC Name: tert-butyl(trifluoromethyl)silane SMILES: CC(C)(C)[SiH2]C(F)(F)F
CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N Synonym: 1,2:3,4-bis-o-1-methylethylidene-, 1,2:3,4-di-o-isopropylidene-, 1,2:3,4-di-o-isopropylidene-d-galactose, 1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol, a-d-galactopyranose PubChem CID: 70793572 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
CAS: 1081-34-1 Molecular Formula: C12H8S3 Molecular Weight (g/mol): 248.376 MDL Number: MFCD00012167 InChI Key: KXSFECAJUBPPFE-UHFFFAOYSA-N Synonym: 0p77rau2rr, 2,2',5',2-terthienyl, 2,2'-5',2-terthiophene, 2,2':5',2-terthienyl, 2,2':5',2-terthiophene, 2,5-bis 2-thienyl thiophene, 2,5-di 2-thienyl thiophene, alpha-terthienyl, alpha-terthiophene, unii-0p77rau2rr PubChem CID: 65067 ChEBI: CHEBI:10335 IUPAC Name: 2,5-dithiophen-2-ylthiophene SMILES: C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
CAS: 3317-61-1 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00005279 InChI Key: VCUVETGKTILCLC-UHFFFAOYSA-N Synonym: 2,2-dimethyl-3,4-dihydro-2h-pyrrole 1-oxide, 2,2-dimethyl-3,4-dihydropyrrol-1-ium-1-olate, 2h-pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide, 5,5-dimethyl-1-pyrroline n-oxide, 5,5-dimethyl-1-pyrroline-1-oxide, 5,5-dimethyl-1-pyrroline-n-oxide, acmc-209hyz, dmpo, lopac-d-5766, unii-7170jz1qf3 PubChem CID: 1774 IUPAC Name: 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium SMILES: CC1(CCC=[N+]1[O-])C
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