Benzohexonium

benzenesulfonate;trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

CAS: 971-60-8

Molecular Formula	`C24H40N2O6S2`
Molecular Weight	516.7 g/mol
Topological Polar Surface Area	131.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	516.2328
Heavy Atoms	34
Complexity	292.0

Chemical Identifiers

CAS Number	971-60-8
SMILES	`C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]`
InChIKey	`KQHXGIXCFWNHSW-UHFFFAOYSA-L`

📖 Product Overview

Benzohexonium (CAS: 971-60-8) is a chemical compound with molecular formula C24H40N2O6S2 and molecular weight 516.7 g/mol. Its IUPAC systematic name is benzenesulfonate;trimethyl-[6-(trimethylazaniumyl)hexyl]azanium. Topological Polar Surface Area 131.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 516.2328 Heavy Atoms 34 Complexity 292.0 InChI Key: KQHXGIXCFWNHSW-UHFFFAOYSA-L. SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].

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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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