benzenesulfonic acid; trimethyl(octadecyl)azanium

Systemtic Name: benzenesulfonic acid; trimethyl(octadecyl)azanium Openeye Name: benzenesulfonic acid; trimethyl(octadecyl)ammonium CAS Name: benzenesulfonic acid; trimethyl(octadecyl)ammonium IUPAC Name: benzenesulfonic acid; trimethyl(octadecyl)azanium Traditional Name: besylic acid; trimethyl(stearyl)ammonium Formula: C27H52NO3S+ MolecularWeight: 470.77168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H46N.C6H6O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;7-10(8,9)6-4-2-1-3-5-6/h5-21H2,1-4H3;1-5H,(H,7,8,9)/q+1;