4-chloranylbenzenesulfonate; hexadecyl(trimethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; hexadecyl(trimethyl)azanium Openeye Name: 4-chlorobenzenesulfonate; hexadecyl(trimethyl)ammonium CAS Name: 4-chlorobenzenesulfonate; hexadecyl(trimethyl)ammonium IUPAC Name: 4-chlorobenzenesulfonate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 4-chlorobesylate Formula: C25H46ClNO3S MolecularWeight: 476.15564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C19H42N.C6H5ClO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;7-5-1-3-6(4-2-5)11(8,9)10/h5-19H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1