[(1S,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1S,3S)-3-methyl-2-oxo-3-phenyl-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,3S)-3-methyl-2-oxo-3-phenylcyclopentyl] ester IUPAC Name: [(1S,3S)-3-methyl-2-oxo-3-phenylcyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,3S)-2-keto-3-methyl-3-phenyl-cyclopentyl] ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(C2=O)(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@](C2=O)(C)C3=CC=CC=C3

InChI

InChI=1S/C19H20O4S/c1-14-8-10-16(11-9-14)24(21,22)23-17-12-13-19(2,18(17)20)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-,19-/m0/s1