RefChem:476798 structure

RefChem:476798

6-[[1-hydroxy-6-[[5-hydroxy-6-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid

Also Known As: 2-Naphthalenesulfonic acid, 6,6'-(carbonylbis(imino(1-hydroxy-6,2-naphthalenediyl)azo))bis-|2-Naphthalenesulfonic acid, 6,6'-ureylenebis((1-hydroxy-6,2-naphthalenediyl)azo)di-|2-Naphthalenesulfonic acid, 6,6'-(carbonylbis(imino(1-hydroxy-6,2-naphthalenediyl)-2,1-diazenediyl))bis-|6,6'-(Carbonylbis(imino(1-hydroxynaphthalene-2,6-diyl)azo))bisnaphthalene-2-sulphonic acid|6,6'-[Carbonylbis[imino(1-hydroxynaphthalene-2,6-diyl)azo]]bisnaphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid, 6,6'-[carbonylbis[imino(1-hydroxy-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-|2-Naphthalenesulfonic acid, 6,6'-[carbonylbis[imino(1-hydroxy-6,2-naphthalenediyl)azo]]bis-|6,6 -[Carbonylbis[imino(1-hydroxy-6,2-naphthalenediyl)azo]]bis(2-naphthalenesulfonic acid)|6,6'-{Carbonylbis[azanediyl(1-hydroxynaphthalene-6,2-diyl)diazene-2,1-diyl]}di(naphthalene-2-sulfonic acid)|6-(2-{1-hydroxy-6-[({5-hydroxy-6-[2-(6-sulfonaphthalen-2-yl)diazen-1-yl]naphthalen-2-yl}carbamoyl)amino]naphthalen-2-yl}diazen-1-yl)naphthalene-2-sulfonic acid

CAS: 65000-34-2
Molecular Formula C41H28N6O9S2
Molecular Weight 812.1359 g/mol
LogP 7.8
Topological Polar Surface Area 257.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
Rotatable Bonds 8
Exact Mass 812.1359
Monoisotopic Mass 812.1359
Heavy Atoms 58
Complexity 1600.0

Chemical Identifiers

CAS Number 65000-34-2
SMILES C1=CC2=C(C=CC(=C2O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C=C1NC(=O)NC5=CC6=C(C=C5)C(=C(C=C6)N=NC7=CC8=C(C=C7)C=C(C=C8)S(=O)(=O)O)O
InChIKey LYTFFOOKDMWMJO-UHFFFAOYSA-N

Product Overview

RefChem:476798 (CAS 65000-34-2), with molecular formula C41H28N6O9S2 and molecular weight 812.1359 g/mol. IUPAC: 6-[[1-hydroxy-6-[[5-hydroxy-6-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid.

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