RefChem:565478

trisodium;2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-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-((3-amino-4-methylbenzoyl)amino)-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-((3-amino-4-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-methylbenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)|Benzoic acid, 2-[[6-[[4-[[6-[(3-amino-4-methylbenzoyl)amino]-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-[(3-amino-4-methylbenzoyl)amino]-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-((3-amino-4-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-methylbenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoate|Benzoic acid,2-[2-[6-[[4-[2-[6-[(3-amino-4-methylbenzoyl)amino]-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-(3-amino-4-methylbenzamido)-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-[(3-amino-4-methylbenzoyl)amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-3-methylbenzoyl]amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate|trisodium2-[[6-[[4-[[6-[ amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate

Molecular Formula	C43H30N7Na3O12S2
Molecular Weight	969.1087 g/mol
LogP	-1.87766
Topological Polar Surface Area	345.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	8
Exact Mass	969.1087
Monoisotopic Mass	969.1087
Heavy Atoms	67
Complexity	1930.0

Chemical Identifiers

CAS Number	72152-52-4
SMILES	CC1=C(C=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C(C=C(C=C4)C(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=CC=CC=C7C(=O)[O-])S(=O)(=O)[O-])C)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
InChIKey	MYMMJFARYIVOJB-UHFFFAOYSA-K