[(2S)-2-methyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-methyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-methyl-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-methyl-3-oxopropyl] ester IUPAC Name: [(2S)-2-methyl-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-keto-2-methyl-propyl] ester Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)C=O

InChI

InChI=1S/C11H14O4S/c1-9-3-5-11(6-4-9)16(13,14)15-8-10(2)7-12/h3-7,10H,8H2,1-2H3/t10-/m1/s1