3-[decyl(dimethyl)azaniumyl]-3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; propane-1-sulfonate

Systemtic Name: 3-[decyl(dimethyl)azaniumyl]-3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; propane-1-sulfonate Openeye Name: 3-[decyl(dimethyl)ammonio]-3-[dimethyl(octyl)ammonio]propane-1-sulfonate; propane-1-sulfonate CAS Name: 3-[decyl(dimethyl)ammonio]-3-[dimethyl(octyl)ammonio]-1-propanesulfonate; 1-propanesulfonate IUPAC Name: 3-[decyl(dimethyl)azaniumyl]-3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; propane-1-sulfonate Traditional Name: 3-[decyl(dimethyl)ammonio]-3-[dimethyl(octyl)ammonio]propane-1-sulfonate; propane-1-sulfonate Formula: C28H62N2O6S2 MolecularWeight: 586.93168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)C(CCS(=O)(=O)[O-])[N+](C)(C)CCCCCCCC.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)C(CCS(=O)(=O)[O-])[N+](C)(C)CCCCCCCC.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H55N2O3S.C3H8O3S/c1-7-9-11-13-15-16-18-20-23-27(5,6)25(21-24-31(28,29)30)26(3,4)22-19-17-14-12-10-8-2;1-2-3-7(4,5)6/h25H,7-24H2,1-6H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1