(2,5-dimethylphenyl) 3-(methylamino)-3-oxidanylidene-propane-1-sulfinate

Systemtic Name: (2,5-dimethylphenyl) 3-(methylamino)-3-oxidanylidene-propane-1-sulfinate Openeye Name: (2,5-dimethylphenyl) 3-(methylamino)-3-oxo-propane-1-sulfinate CAS Name: 3-(methylamino)-3-oxo-1-propanesulfinic acid IUPAC Name: (2,5-dimethylphenyl) 3-(methylamino)-3-oxopropane-1-sulfinate Traditional Name: 3-keto-3-(methylamino)propane-1-sulfinic acid (2,5-dimethylphenyl) ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-9-4-5-10(2)11(8-9)16-17(15)7-6-12(14)13-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)