Test
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N IUPAC Name: benzoyl benzenecarboperoxoate SMILES: O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
CAS | 94-36-0 |
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Molecular Weight (g/mol) | 242.23 |
SMILES | O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
IUPAC Name | benzoyl benzenecarboperoxoate |
InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
Molecular Formula | C14H10O4 |
CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.64 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N IUPAC Name: hydrogen 1-hydrazinylphthalazine chloride SMILES: [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1
CAS | 304-20-1 |
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Molecular Weight (g/mol) | 196.64 |
SMILES | [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1 |
IUPAC Name | hydrogen 1-hydrazinylphthalazine chloride |
InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
Molecular Formula | C8H9ClN4 |
CAS: 10246-75-0 Molecular Formula: C44H43ClN2O8 Molecular Weight (g/mol): 763.28 InChI Key: ASDOKGIIKXGMNB-UHFFFAOYNA-N IUPAC Name: 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid SMILES: OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1.OC(=O)C1=C(O)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C2C=CC=CC2=C1
CAS | 10246-75-0 |
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Molecular Weight (g/mol) | 763.28 |
SMILES | OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1.OC(=O)C1=C(O)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C2C=CC=CC2=C1 |
IUPAC Name | 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid |
InChI Key | ASDOKGIIKXGMNB-UHFFFAOYNA-N |
Molecular Formula | C44H43ClN2O8 |
CAS: 9004-65-3 Molecular Formula: C56H108O30 Molecular Weight (g/mol): 1261.45 InChI Key: PUSNGFYSTWMJSK-UHFFFAOYNA-N IUPAC Name: 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane SMILES: COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O
CAS | 9004-65-3 |
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Molecular Weight (g/mol) | 1261.45 |
SMILES | COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O |
IUPAC Name | 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane |
InChI Key | PUSNGFYSTWMJSK-UHFFFAOYNA-N |
Molecular Formula | C56H108O30 |
CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
CAS | 15687-27-1 |
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Molecular Weight (g/mol) | 206.29 |
MDL Number | MFCD00010393 |
SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
Molecular Formula | C13H18O2 |
CAS: 9004-65-3 Molecular Formula: C56H108O30 Molecular Weight (g/mol): 1261.45 InChI Key: PUSNGFYSTWMJSK-UHFFFAOYNA-N IUPAC Name: 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane SMILES: COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O
CAS | 9004-65-3 |
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Molecular Weight (g/mol) | 1261.45 |
SMILES | COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O |
IUPAC Name | 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane |
InChI Key | PUSNGFYSTWMJSK-UHFFFAOYNA-N |
Molecular Formula | C56H108O30 |
CAS: 8029-68-3
CAS | 8029-68-3 |
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CAS: 9004-65-3 Molecular Formula: C56H108O30 Molecular Weight (g/mol): 1261.45 InChI Key: PUSNGFYSTWMJSK-UHFFFAOYNA-N IUPAC Name: 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane SMILES: COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O
CAS | 9004-65-3 |
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Molecular Weight (g/mol) | 1261.45 |
SMILES | COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC.CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O |
IUPAC Name | 1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-6-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane |
InChI Key | PUSNGFYSTWMJSK-UHFFFAOYNA-N |
Molecular Formula | C56H108O30 |
CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: NC1=CC=C(O)C(=C1)C(O)=O
CAS | 89-57-6 |
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Molecular Weight (g/mol) | 153.14 |
SMILES | NC1=CC=C(O)C(=C1)C(O)=O |
IUPAC Name | 5-amino-2-hydroxybenzoic acid |
InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
Molecular Formula | C7H7NO3 |
Molecular Formula: Cl2H8MnO4 Molecular Weight (g/mol): 197.90 MDL Number: MFCD00149792 InChI Key: CNFDGXZLMLFIJV-UHFFFAOYSA-L IUPAC Name: manganese(2+) tetrahydrate dichloride SMILES: O.O.O.O.[Cl-].[Cl-].[Mn++]
Molecular Weight (g/mol) | 197.90 |
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MDL Number | MFCD00149792 |
SMILES | O.O.O.O.[Cl-].[Cl-].[Mn++] |
IUPAC Name | manganese(2+) tetrahydrate dichloride |
InChI Key | CNFDGXZLMLFIJV-UHFFFAOYSA-L |
Molecular Formula | Cl2H8MnO4 |
CAS: 6385-02-0 Molecular Formula: C14H10Cl2NNaO2 Molecular Weight (g/mol): 318.13 InChI Key: OGPIIGMUPMPMNT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate SMILES: [Na+].CC1=CC=C(Cl)C(NC2=CC=CC=C2C([O-])=O)=C1Cl
CAS | 6385-02-0 |
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Molecular Weight (g/mol) | 318.13 |
SMILES | [Na+].CC1=CC=C(Cl)C(NC2=CC=CC=C2C([O-])=O)=C1Cl |
IUPAC Name | sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate |
InChI Key | OGPIIGMUPMPMNT-UHFFFAOYSA-M |
Molecular Formula | C14H10Cl2NNaO2 |
CAS: 4682-36-4 Molecular Formula: C24H31NO8 Molecular Weight (g/mol): 461.51 InChI Key: MMMNTDFSPSQXJP-UHFFFAOYNA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C
CAS | 4682-36-4 |
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Molecular Weight (g/mol) | 461.51 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine |
InChI Key | MMMNTDFSPSQXJP-UHFFFAOYNA-N |
Molecular Formula | C24H31NO8 |
CAS: 8009-03-8 Molecular Formula: C15H15N Molecular Weight (g/mol): 209.29 InChI Key: WJZSZXCWMATYFX-UHFFFAOYSA-N IUPAC Name: 1,1,2-trimethyl-1H-benzo[e]indole SMILES: CC1=NC2=CC=C3C=CC=CC3=C2C1(C)C
CAS | 8009-03-8 |
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Molecular Weight (g/mol) | 209.29 |
SMILES | CC1=NC2=CC=C3C=CC=CC3=C2C1(C)C |
IUPAC Name | 1,1,2-trimethyl-1H-benzo[e]indole |
InChI Key | WJZSZXCWMATYFX-UHFFFAOYSA-N |
Molecular Formula | C15H15N |
CAS: 127-08-2 Molecular Formula: C2H3KO2 Molecular Weight (g/mol): 98.14 InChI Key: SCVFZCLFOSHCOH-UHFFFAOYSA-M IUPAC Name: potassium acetate SMILES: [K+].CC([O-])=O
CAS | 127-08-2 |
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Molecular Weight (g/mol) | 98.14 |
SMILES | [K+].CC([O-])=O |
IUPAC Name | potassium acetate |
InChI Key | SCVFZCLFOSHCOH-UHFFFAOYSA-M |
Molecular Formula | C2H3KO2 |
CAS: 7447-40-7 Molecular Formula: ClK Molecular Weight (g/mol): 74.55 MDL Number: MFCD00011360 InChI Key: WCUXLLCKKVVCTQ-UHFFFAOYSA-M IUPAC Name: potassium chloride SMILES: [Cl-].[K+]
CAS | 7447-40-7 |
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Molecular Weight (g/mol) | 74.55 |
MDL Number | MFCD00011360 |
SMILES | [Cl-].[K+] |
IUPAC Name | potassium chloride |
InChI Key | WCUXLLCKKVVCTQ-UHFFFAOYSA-M |
Molecular Formula | ClK |