4-methylbenzenesulfonate; trimethyl-[2-(4-methylphenyl)sulfonyloxyethyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[2-(4-methylphenyl)sulfonyloxyethyl]azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl-[2-(p-tolylsulfonyloxy)ethyl]ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl-[2-(4-methylphenyl)sulfonyloxyethyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl-[2-(4-methylphenyl)sulfonyloxyethyl]azanium Traditional Name: trimethyl(2-tosyloxyethyl)ammonium tosylate Formula: C19H27NO6S2 MolecularWeight: 429.55078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20NO3S.C7H8O3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-9-13(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,9-10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1