4-methylbenzenesulfonate; octadecyl-(phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; octadecyl-(phenylmethyl)azanium Openeye Name: benzyl(octadecyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; octadecyl-(phenylmethyl)ammonium IUPAC Name: benzyl(octadecyl)azanium; 4-methylbenzenesulfonate Traditional Name: benzyl(stearyl)ammonium tosylate Formula: C32H53NO3S MolecularWeight: 531.83312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H45N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25;1-6-2-4-7(5-3-6)11(8,9)10/h17-19,21-22,26H,2-16,20,23-24H2,1H3;2-5H,1H3,(H,8,9,10)