[(1R,3R)-3-(3-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3R)-3-(3-methoxyphenyl)-3-methyl-2-oxidanylidene-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3R)-3-(3-methoxyphenyl)-3-methyl-2-oxo-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3R)-3-(3-methoxyphenyl)-3-methyl-2-oxocyclopentyl] ester IUPAC Name: [(1R,3R)-3-(3-methoxyphenyl)-3-methyl-2-oxocyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3R)-2-keto-3-(3-methoxyphenyl)-3-methyl-cyclopentyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22O5S/c1-14-7-9-17(10-8-14)26(22,23)25-18-11-12-20(2,19(18)21)15-5-4-6-16(13-15)24-3/h4-10,13,18H,11-12H2,1-3H3/t18-,20-/m1/s1