Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, so
tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
| Molecular Formula | C46H30N10Na4O13S3 |
|---|---|
| Molecular Weight | 1118.9 g/mol |
| Topological Polar Surface Area | 428.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 1118.0747 |
| Heavy Atoms | 76 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 2429-81-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])N)N=NC5=C(C=C6C=C(C(=C(C6=C5)O)N=NC7=CC=C(C8=CC=CC=C87)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | DWAUTGHCJRNULO-UHFFFAOYSA-J |
📖 Product Overview
Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, so (CAS: 2429-81-4) is a chemical compound with molecular formula C46H30N10Na4O13S3 and molecular weight 1118.9 g/mol. Its IUPAC systematic name is tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
DWAUTGHCJRNULO-UHFFFAOYSA-J.
SMILES: CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])N)N=NC5=C(C=C6C=C(C(=C(C6=C5)O)N=NC7=CC=C(C8=CC=CC=C87)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].
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