[1-[dodecyl(methyl)sulfonio]-2-oxidanyl-3-sulfo-propyl]-hexadecyl-dimethyl-azanium

Systemtic Name: [1-[dodecyl(methyl)sulfonio]-2-oxidanyl-3-sulfo-propyl]-hexadecyl-dimethyl-azanium Openeye Name: [1-[dodecyl(methyl)sulfonio]-2-hydroxy-3-sulfo-propyl]-hexadecyl-dimethyl-ammonium CAS Name: [1-[dodecyl(methyl)sulfonio]-2-hydroxy-3-sulfopropyl]-hexadecyl-dimethylammonium IUPAC Name: [1-[dodecyl(methyl)sulfonio]-2-hydroxy-3-sulfopropyl]-hexadecyl-dimethylazanium Traditional Name: cetyl-[2-hydroxy-1-[lauryl(methyl)sulfonio]-3-sulfo-propyl]-dimethyl-ammonium Formula: C34H73NO4S2+2 MolecularWeight: 624.07772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CS(=O)(=O)O)O)[S+](C)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CS(=O)(=O)O)O)[S+](C)CCCCCCCCCCCC

InChI

InChI=1S/C34H72NO4S2/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-35(3,4)34(33(36)32-41(37,38)39)40(5)31-29-27-25-23-17-15-13-11-9-7-2/h33-34,36H,6-32H2,1-5H3/q+1/p+1