RefChem:118317
trisodium;2-[[6-[[4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt|Benzoic acid, 2-(2-(6-((4-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)|Benzoic acid, 2-[2-[6-[[4-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)|Trisodium 2-((6-((4-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate|Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt|Benzoic acid,2-[2-[6-[[4-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-,sodium salt (1:3)|Trisodium 2-[(6-{4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzamido}-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]benzoate|trisodium,2-[(2Z)-2-[6-[[4-[(2Z)-2-(6-benzamido-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylbenzoyl]amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate|trisodium2-[[6-[[4-[[6- -1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate
| Molecular Formula | C42H27N6Na3O12S2 |
|---|---|
| Molecular Weight | 940.08215 g/mol |
| LogP | -1.76828 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 940.08215 |
| Monoisotopic Mass | 940.08215 |
| Heavy Atoms | 65 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 72152-50-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=CC=C4C(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=C6C=C(C=CC6=C5O)NC(=O)C7=CC=CC=C7)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | RJWRCCXNBNASSI-UHFFFAOYSA-K |
Product Overview
RefChem:118317 (CAS 72152-50-2), with molecular formula C42H27N6Na3O12S2 and molecular weight 940.08215 g/mol. IUPAC: trisodium;2-[[6-[[4-[(6-benzamido-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate.