CHEMBL1092076

7-[[6-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxy-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

Also Known As: 2-Naphthalene sulfonic acid der.|2-Naphthalene sulfonic acid,3[(4-amino-5-methoxy-2-methylphenyl)azo]-3'-[(6-sulfo-2-naphthyl)azo]-7,7'-(carbonyldiimino)bis[4-hydroxy-, trisodium salt|3-((4-amino-5-methoxy-2-methylphenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-7-sulfo-6-((6-sulfonaphthalen-2-yl)diazenyl)naphthalen-2-yl)ureido)naphthalene-2-sulfonic acid|7-[[6-[(E)-(4-amino-5-methoxy-2-methyl-phenyl)azo]-5-hydroxy-7-sulfo-2-naphthyl]carbamoylamino]-4-hydroxy-3-[(E)-(6-sulfo-2-naphthyl)azo]naphthalene-2-sulfonic acid

Molecular Formula	C39H31N7O13S3
Molecular Weight	901.1142 g/mol
LogP	5.0
Topological Polar Surface Area	355.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	18
Rotatable Bonds	10
Exact Mass	901.1142
Monoisotopic Mass	901.1142
Heavy Atoms	62
Complexity	1980.0

Chemical Identifiers

CAS Number	7153-93-7
SMILES	CC1=CC(=C(C=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)N
InChIKey	IUSHCCKGKYIOGJ-UHFFFAOYSA-N