benzenesulfonic acid; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: benzenesulfonic acid; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzenesulfonic acid; benzyl-dodecyl-dimethyl-ammonium CAS Name: benzenesulfonic acid; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzenesulfonic acid; benzyl-dodecyl-dimethylazanium Traditional Name: benzyl-lauryl-dimethyl-ammonium; besylic acid Formula: C27H44NO3S+ MolecularWeight: 462.70816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H38N.C6H6O3S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;7-10(8,9)6-4-2-1-3-5-6/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-5H,(H,7,8,9)/q+1;