Test
CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N IUPAC Name: 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1
CAS | 59277-89-3 |
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Molecular Weight (g/mol) | 225.21 |
MDL Number | MFCD00057880 |
SMILES | NC1=NC2=C(N=CN2COCCO)C(=O)N1 |
IUPAC Name | 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one |
InChI Key | MKUXAQIIEYXACX-UHFFFAOYSA-N |
Molecular Formula | C8H11N5O3 |
CAS: 64-17-5 Molecular Formula: C2H6O Molecular Weight (g/mol): 46.07 InChI Key: LFQSCWFLJHTTHZ-UHFFFAOYSA-N IUPAC Name: ethanol SMILES: CCO
CAS | 64-17-5 |
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Molecular Weight (g/mol) | 46.07 |
SMILES | CCO |
IUPAC Name | ethanol |
InChI Key | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
Molecular Formula | C2H6O |
CAS: 7784-26-1 Molecular Formula: AlH28NO20S2 Molecular Weight (g/mol): 453.31 InChI Key: WZUKKIPWIPZMAS-UHFFFAOYSA-K IUPAC Name: aluminum(3+) ammonium dodecahydrate disulfate SMILES: [NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
CAS | 7784-26-1 |
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Molecular Weight (g/mol) | 453.31 |
SMILES | [NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O |
IUPAC Name | aluminum(3+) ammonium dodecahydrate disulfate |
InChI Key | WZUKKIPWIPZMAS-UHFFFAOYSA-K |
Molecular Formula | AlH28NO20S2 |
CAS: 77-92-9 Molecular Formula: C6H8O7 Molecular Weight (g/mol): 192.12 MDL Number: MFCD00011669 InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
CAS | 77-92-9 |
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Molecular Weight (g/mol) | 192.12 |
MDL Number | MFCD00011669 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI Key | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
Molecular Formula | C6H8O7 |
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.34 InChI Key: METKIMKYRPQLGS-UHFFFAOYNA-N IUPAC Name: 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide SMILES: CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
CAS | 29122-68-7 |
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Molecular Weight (g/mol) | 266.34 |
SMILES | CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 |
IUPAC Name | 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide |
InChI Key | METKIMKYRPQLGS-UHFFFAOYNA-N |
Molecular Formula | C14H22N2O3 |
CAS: 7727-43-7 Molecular Formula: BaO4S Molecular Weight (g/mol): 233.38 MDL Number: MFCD00003455 InChI Key: TZCXTZWJZNENPQ-UHFFFAOYSA-L IUPAC Name: barium(2+) sulfate SMILES: [Ba++].[O-]S([O-])(=O)=O
CAS | 7727-43-7 |
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Molecular Weight (g/mol) | 233.38 |
MDL Number | MFCD00003455 |
SMILES | [Ba++].[O-]S([O-])(=O)=O |
IUPAC Name | barium(2+) sulfate |
InChI Key | TZCXTZWJZNENPQ-UHFFFAOYSA-L |
Molecular Formula | BaO4S |
CAS: 813-93-4 Molecular Formula: C6H5BiO7 Molecular Weight (g/mol): 398.08 InChI Key: ANERHPOLUMFRDC-UHFFFAOYSA-K IUPAC Name: bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
CAS | 813-93-4 |
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Molecular Weight (g/mol) | 398.08 |
SMILES | [Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
IUPAC Name | bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate |
InChI Key | ANERHPOLUMFRDC-UHFFFAOYSA-K |
Molecular Formula | C6H5BiO7 |
CAS: 1304-85-4 Molecular Formula: BiN3O9 Molecular Weight (g/mol): 394.99 InChI Key: PPNKDDZCLDMRHS-UHFFFAOYSA-N IUPAC Name: bis(nitrooxy)bismuthanyl nitrate SMILES: [O-][N+](=O)O[Bi](O[N+]([O-])=O)O[N+]([O-])=O
CAS | 1304-85-4 |
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Molecular Weight (g/mol) | 394.99 |
SMILES | [O-][N+](=O)O[Bi](O[N+]([O-])=O)O[N+]([O-])=O |
IUPAC Name | bis(nitrooxy)bismuthanyl nitrate |
InChI Key | PPNKDDZCLDMRHS-UHFFFAOYSA-N |
Molecular Formula | BiN3O9 |
CAS: 5793-89-5 Molecular Formula: C6H16CaO12 Molecular Weight (g/mol): 320.26 InChI Key: ZQWFSIZRQANUDA-FARGFPGJSA-L IUPAC Name: calcium (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate tetrahydrate SMILES: O.O.O.O.[Ca++].O[C@@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O
CAS | 5793-89-5 |
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Molecular Weight (g/mol) | 320.26 |
SMILES | O.O.O.O.[Ca++].O[C@@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O |
IUPAC Name | calcium (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate tetrahydrate |
InChI Key | ZQWFSIZRQANUDA-FARGFPGJSA-L |
Molecular Formula | C6H16CaO12 |
CAS: 154361-50-9 Molecular Formula: C15H22FN3O6 Molecular Weight (g/mol): 359.35 InChI Key: GAGWJHPBXLXJQN-UORFTKCHSA-N IUPAC Name: pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate SMILES: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
CAS | 154361-50-9 |
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Molecular Weight (g/mol) | 359.35 |
SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O |
IUPAC Name | pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate |
InChI Key | GAGWJHPBXLXJQN-UORFTKCHSA-N |
Molecular Formula | C15H22FN3O6 |
CAS: 9004-32-4 Molecular Formula: (C12 H14 O9 R6)n Molecular Weight (g/mol): 263.20 MDL Number: MFCD00081472 InChI Key: DPXJVFZANSGRMM-UHFFFAOYNA-N IUPAC Name: 2,3,4,5,6-pentahydroxyhexanal acetic acid sodium SMILES: [Na].CC(O)=O.OCC(O)C(O)C(O)C(O)C=O
CAS | 9004-32-4 |
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Molecular Weight (g/mol) | 263.20 |
MDL Number | MFCD00081472 |
SMILES | [Na].CC(O)=O.OCC(O)C(O)C(O)C(O)C=O |
IUPAC Name | 2,3,4,5,6-pentahydroxyhexanal acetic acid sodium |
InChI Key | DPXJVFZANSGRMM-UHFFFAOYNA-N |
Molecular Formula | (C12 H14 O9 R6)n |
CAS: 5949-29-1 Molecular Formula: C6H10O8 Molecular Weight (g/mol): 210.14 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate SMILES: O.OC(=O)CC(O)(CC(O)=O)C(O)=O
CAS | 5949-29-1 |
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Molecular Weight (g/mol) | 210.14 |
SMILES | O.OC(=O)CC(O)(CC(O)=O)C(O)=O |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate |
InChI Key | YASYEJJMZJALEJ-UHFFFAOYSA-N |
Molecular Formula | C6H10O8 |
CAS: 41621-49-2 Molecular Formula: C14H24N2O3 Molecular Weight (g/mol): 268.36 InChI Key: MBRHNTMUYWQHMR-UHFFFAOYSA-N IUPAC Name: 2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one SMILES: NCCO.CC1=CC(=O)N(O)C(=C1)C1CCCCC1
CAS | 41621-49-2 |
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Molecular Weight (g/mol) | 268.36 |
SMILES | NCCO.CC1=CC(=O)N(O)C(=C1)C1CCCCC1 |
IUPAC Name | 2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one |
InChI Key | MBRHNTMUYWQHMR-UHFFFAOYSA-N |
Molecular Formula | C14H24N2O3 |
CAS: 130-26-7 Molecular Formula: C9H5ClINO Molecular Weight (g/mol): 305.50 InChI Key: QCDFBFJGMNKBDO-UHFFFAOYSA-N IUPAC Name: 5-chloro-7-iodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(Cl)C=C1I
CAS | 130-26-7 |
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Molecular Weight (g/mol) | 305.50 |
SMILES | OC1=C2N=CC=CC2=C(Cl)C=C1I |
IUPAC Name | 5-chloro-7-iodoquinolin-8-ol |
InChI Key | QCDFBFJGMNKBDO-UHFFFAOYSA-N |
Molecular Formula | C9H5ClINO |