4-methylbenzenesulfonate; methyl(octyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl(octyl)azanium Openeye Name: 4-methylbenzenesulfonate; methyl(octyl)ammonium CAS Name: 4-methylbenzenesulfonate; methyl(octyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; methyl(octyl)azanium Traditional Name: methyl(octyl)ammonium tosylate Formula: C16H29NO3S MolecularWeight: 315.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21N.C7H8O3S/c1-3-4-5-6-7-8-9-10-2;1-6-2-4-7(5-3-6)11(8,9)10/h10H,3-9H2,1-2H3;2-5H,1H3,(H,8,9,10)