4-methylbenzenesulfonate; octadecyl(2-phenylpropan-2-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; octadecyl(2-phenylpropan-2-yl)azanium Openeye Name: 4-methylbenzenesulfonate; (1-methyl-1-phenyl-ethyl)-octadecyl-ammonium CAS Name: 4-methylbenzenesulfonate; octadecyl(2-phenylpropan-2-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; octadecyl(2-phenylpropan-2-yl)azanium Traditional Name: cumyl(stearyl)ammonium tosylate Formula: C34H57NO3S MolecularWeight: 559.88628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-27(2,3)26-23-20-19-21-24-26;1-6-2-4-7(5-3-6)11(8,9)10/h19-21,23-24,28H,4-18,22,25H2,1-3H3;2-5H,1H3,(H,8,9,10)