octane-1-sulfonate; trimethyl(octadecyl)azanium

Systemtic Name: octane-1-sulfonate; trimethyl(octadecyl)azanium Openeye Name: octane-1-sulfonate; trimethyl(octadecyl)ammonium CAS Name: 1-octanesulfonate; trimethyl(octadecyl)ammonium IUPAC Name: octane-1-sulfonate; trimethyl(octadecyl)azanium Traditional Name: octane-1-sulfonate; trimethyl(stearyl)ammonium Formula: C29H63NO3S MolecularWeight: 505.88042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C8H18O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-2-3-4-5-6-7-8-12(9,10)11/h5-21H2,1-4H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1