RefChem:327265

tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);4-[[6-[[6-[(4-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid

Also Known As: Benzoic acid, 4,4'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, compd. with 2,2',2''-nitrilotris[ethanol] (1:4)|Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)|4,4'-{Carbonylbis[azanediyl(1-hydroxy-3-sulfonaphthalene-6,2-diyl)diazene-2,1-diyl]}dibenzoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/4)|Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)|Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo)bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:4)

Molecular Formula	C59H84N10O25S2
Molecular Weight	1396.505 g/mol
LogP	0.83
Topological Polar Surface Area	587.0 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	33
Rotatable Bonds	34
Exact Mass	1396.505
Monoisotopic Mass	1396.505
Heavy Atoms	96
Complexity	1640.0

Chemical Identifiers

CAS Number	38801-08-0
SMILES	C1=CC(=CC=C1C(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
InChIKey	LNKNALIQZHNRER-UHFFFAOYSA-N