[1-(dimethylamino)-3-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(dimethylamino)-3-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(dimethylaminomethyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(dimethylamino)-3-oxopropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-3-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(dimethylaminomethyl)-2-keto-ethyl] ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C)C=O

InChI

InChI=1S/C12H17NO4S/c1-10-4-6-12(7-5-10)18(15,16)17-11(9-14)8-13(2)3/h4-7,9,11H,8H2,1-3H3