sodiumbenzenesulfonate4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate

sodium;benzenesulfonate;4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate

CAS: 66967-97-3

Molecular Formula	`C24H27N4NaO8S2`
Molecular Weight	586.6 g/mol
Topological Polar Surface Area	185.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	586.1168
Heavy Atoms	39
Complexity	817.0

Chemical Identifiers

CAS Number	66967-97-3
SMILES	`CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]`
InChIKey	`XDMGSUMGCDAGRA-UHFFFAOYSA-M`

📖 Product Overview

sodiumbenzenesulfonate4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate (CAS: 66967-97-3) is a chemical compound with molecular formula C24H27N4NaO8S2 and molecular weight 586.6 g/mol. Its IUPAC systematic name is sodium;benzenesulfonate;4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate. Topological Polar Surface Area 185.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 586.1168 Heavy Atoms 39 Complexity 817.0 InChI Key: XDMGSUMGCDAGRA-UHFFFAOYSA-M. SMILES: CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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