(4-methylphenyl) 3-(dimethylamino)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: (4-methylphenyl) 3-(dimethylamino)-3-oxidanylidene-propane-1-sulfonate Openeye Name: p-tolyl 3-(dimethylamino)-3-oxo-propane-1-sulfonate CAS Name: 3-(dimethylamino)-3-oxo-1-propanesulfonic acid IUPAC Name: (4-methylphenyl) 3-(dimethylamino)-3-oxopropane-1-sulfonate Traditional Name: 3-(dimethylamino)-3-keto-propane-1-sulfonic acid p-tolyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)CCC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)CCC(=O)N(C)C

InChI

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