AC1NXI2V
5-[[4-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Also Known As: (3Z)-3-[[4-[4-(2,4-DIAMINO-5-METHYL-PHENYL)DIAZENYL-3-METHYL-2-SULFO-PHENYL]DIAZENYLPHENYL]HYDRAZINYLIDENE]-6-OXO-CYCLOHEXA-1,4-DIENE-1-CARBOXYLIC ACID|3-[[4-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid|(3E)-3-[[4-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid|3-(2-{4-[(E)-{4-[(E)-(2,4-Diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl}diazenyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid|5-((4'-((4-Amino-2,5-dimethylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxybenzoic acid|Benzoic acid,5-[2-[4-[2-[4-[2-(2,4-diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl]diazenyl]phenyl]diazenyl]-2-hydroxy-,sodium salt (1:2)
| Molecular Formula | C27H24N8O6S |
|---|---|
| Molecular Weight | 588.15393 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.15393 |
| Monoisotopic Mass | 588.15393 |
| Heavy Atoms | 42 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 6330-91-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N)N=NC2=C(C(=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)S(=O)(=O)O)C |
| InChIKey | VWFBJVZMOBJQJL-UHFFFAOYSA-N |
Product Overview
AC1NXI2V (CAS 6330-91-2), with molecular formula C27H24N8O6S and molecular weight 588.15393 g/mol. IUPAC: 5-[[4-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]-3-methyl-2-sulfophenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.