(4-methylphenyl)-oxidanylidene-methanesulfonate; tributylazanium

Systemtic Name: (4-methylphenyl)-oxidanylidene-methanesulfonate; tributylazanium Openeye Name: oxo(p-tolyl)methanesulfonate; tributylammonium CAS Name: (4-methylphenyl)-oxomethanesulfonate; tributylammonium IUPAC Name: (4-methylphenyl)-oxomethanesulfonate; tributylazanium Traditional Name: keto(p-tolyl)methanesulfonate; tributylammonium Formula: C20H35NO4S MolecularWeight: 385.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CC1=CC=C(C=C1)C(=O)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CC1=CC=C(C=C1)C(=O)S(=O)(=O)[O-]

InChI

InChI=1S/C12H27N.C8H8O4S/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6-2-4-7(5-3-6)8(9)13(10,11)12/h4-12H2,1-3H3;2-5H,1H3,(H,10,11,12)