Compound C35H25N6Na3O13S3

trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

CAS: 6420-44-6

Molecular Formula	`C35H25N6Na3O13S3`
Molecular Weight	902.8 g/mol
Topological Polar Surface Area	337.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	17
Rotatable Bonds	7
Exact Mass	902.0335
Heavy Atoms	60
Complexity	1760.0

Chemical Identifiers

CAS Number	6420-44-6
SMILES	`CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]`
InChIKey	`MSBHLDQWHHNCML-UHFFFAOYSA-K`

📖 Product Overview

Compound C35H25N6Na3O13S3 (CAS: 6420-44-6) is a chemical compound with molecular formula C35H25N6Na3O13S3 and molecular weight 902.8 g/mol. Its IUPAC systematic name is trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate. Topological Polar Surface Area 337.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 17 Rotatable Bonds 7 Exact Mass 902.0335 Heavy Atoms 60 Complexity 1760.0 InChI Key: MSBHLDQWHHNCML-UHFFFAOYSA-K. SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].

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