[(1R,3R)-3-(2-methoxy-5-methyl-phenyl)-3-methyl-2-oxidanylidene-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3R)-3-(2-methoxy-5-methyl-phenyl)-3-methyl-2-oxidanylidene-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3R)-3-(2-methoxy-5-methyl-phenyl)-3-methyl-2-oxo-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3R)-3-(2-methoxy-5-methylphenyl)-3-methyl-2-oxocyclopentyl] ester IUPAC Name: [(1R,3R)-3-(2-methoxy-5-methylphenyl)-3-methyl-2-oxocyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3R)-2-keto-3-(2-methoxy-5-methyl-phenyl)-3-methyl-cyclopentyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O5S/c1-14-5-8-16(9-6-14)27(23,24)26-19-11-12-21(3,20(19)22)17-13-15(2)7-10-18(17)25-4/h5-10,13,19H,11-12H2,1-4H3/t19-,21-/m1/s1