dimethyl(octadecyl)azanium; octane-1-sulfonate

Systemtic Name: dimethyl(octadecyl)azanium; octane-1-sulfonate Openeye Name: dimethyl(octadecyl)ammonium; octane-1-sulfonate CAS Name: dimethyl(octadecyl)ammonium; 1-octanesulfonate IUPAC Name: dimethyl(octadecyl)azanium; octane-1-sulfonate Traditional Name: dimethyl(stearyl)ammonium; octane-1-sulfonate Formula: C28H61NO3S MolecularWeight: 491.85384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C20H43N.C8H18O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-12(9,10)11/h4-20H2,1-3H3;2-8H2,1H3,(H,9,10,11)