RefChem:88489
trisodium;7-[[6-[(2,4-dimethylphenyl)diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-hydroxy-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 3-((2,4-dimethylphenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulfo-6-((6-sulfo-2-naphthalenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-, trisodium salt|2-Naphthalenesulfonic acid, 3-(2-(2,4-dimethylphenyl)diazenyl)-4-hydroxy-7-((((5-hydroxy-7-sulfo-6-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenyl)amino)carbonyl)amino)-, sodium salt (1:3)|2-Naphthalenesulfonic acid, 3-[2-(2,4-dimethylphenyl)diazenyl]-4-hydroxy-7-[[[[5-hydroxy-7-sulfo-6-[2-(6-sulfo-2-naphthalenyl)diazenyl]-2-naphthalenyl]amino]carbonyl]amino]-, sodium salt (1:3)|4-Hydroxy-7-((((5-hydroxy-6-((2,4-dimethylphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-2-naphthalenesulfonic acid, trisodium salt|Trisodium 3-((2,4-dimethylphenyl)azo)-4-hydroxy-7-((((5-hydroxy-7-sulphonato-6-((6-sulphonato-2-naphthyl)azo)-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonate|2-Naphthalenesulfonic acid, 3-[(2,4-dimethylphenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulfo-6-[(6-sulfo-2-naphthalenyl)azo]-2-naphthalenyl]amino]carbonyl]amino]-, trisodium salt|Trisodium 3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalen-2-yl}carbamoyl)amino]naphthalene-2-sulfonate|trisodium3-[ azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[ azo]-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate
| Molecular Formula | C39H27N6Na3O12S3 |
|---|---|
| Molecular Weight | 936.0542 g/mol |
| LogP | -0.62666 |
| Topological Polar Surface Area | 328.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 936.0542 |
| Monoisotopic Mass | 936.0542 |
| Heavy Atoms | 63 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 67923-64-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+] |
| InChIKey | DERGVYIYJYGKCV-UHFFFAOYSA-K |
Product Overview
RefChem:88489 (CAS 67923-64-2), with molecular formula C39H27N6Na3O12S3 and molecular weight 936.0542 g/mol. IUPAC: trisodium;7-[[6-[(2,4-dimethylphenyl)diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-hydroxy-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate.