Compound C38H25N6Na3O12S3

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

CAS: 6460-01-1

Molecular Formula	`C38H25N6Na3O12S3`
Molecular Weight	922.8 g/mol
Topological Polar Surface Area	328.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	922.0386
Heavy Atoms	62
Complexity	1850.0

Chemical Identifiers

CAS Number	6460-01-1
SMILES	`CC1=CC=CC=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-].[Na+].[Na+].[Na+]`
InChIKey	`ATRALPSKQPQOTB-UHFFFAOYSA-K`

📖 Product Overview

Compound C38H25N6Na3O12S3 (CAS: 6460-01-1) is a chemical compound with molecular formula C38H25N6Na3O12S3 and molecular weight 922.8 g/mol. Its IUPAC systematic name is trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate. Topological Polar Surface Area 328.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 16 Rotatable Bonds 6 Exact Mass 922.0386 Heavy Atoms 62 Complexity 1850.0 InChI Key: ATRALPSKQPQOTB-UHFFFAOYSA-K. SMILES: CC1=CC=CC=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-].[Na+].[Na+].[Na+].

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