NS00123871

tetrasodium;4-[[4-[[[4-[2-[4-[[4-[(4-carboxylatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoazaniumylidene]amino]phenyl]diazenyl]benzoate

Also Known As: Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-ONN-azoxy-4,1-phenyleneazo]]bis-, tetrasodium salt|Benzoic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)(2-oxido-2,1-diazenediyl)-4,1-phenylene-2,1-diazenediyl]]bis-, sodium salt (1:4)|Tetrasodium 4-({4-[(4-{2-[4-({4-[(4-carboxylatophenyl)diazenyl]phenyl}-NNO-azoxy)-2-sulfonatophenyl]ethen-1-yl}-3-sulfonatophenyl)-ONN-azoxy]phenyl}diazenyl)benzoate|tetrasodium,4-[[4-[[[4-[(E)-2-[4-[[4-[(4-carboxylatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoazaniumylidene]amino]phenyl]diazenyl]benzoate

Molecular Formula	C40H24N8Na4O12S2
Molecular Weight	964.05457 g/mol
LogP	-4.9096
Topological Polar Surface Area	343.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	10
Exact Mass	964.05457
Monoisotopic Mass	964.05457
Heavy Atoms	66
Complexity	1730.0

Chemical Identifiers

CAS Number	71873-49-9
SMILES	C1=CC(=CC=C1C(=O)[O-])N=NC2=CC=C(C=C2)N=[N+](C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)[N+](=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)C(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey	ZHMNNCYAYMTORS-UHFFFAOYSA-J