Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)
disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
| Molecular Formula | C32H24N8Na2O6S |
|---|---|
| Molecular Weight | 694.6 g/mol |
| Topological Polar Surface Area | 252.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 694.1335 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 2586-58-5 |
|---|---|
| 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=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | LQLLXIYULIMXDU-UHFFFAOYSA-L |
📖 Product Overview
Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2) (CAS: 2586-58-5) is a chemical compound with molecular formula C32H24N8Na2O6S and molecular weight 694.6 g/mol. Its IUPAC systematic name is disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
LQLLXIYULIMXDU-UHFFFAOYSA-L.
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=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+].
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