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

Systemtic Name: [(1R,3R)-3-(2,3-dimethoxy-5-methyl-phenyl)-3-methyl-2-oxidanylidene-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3R)-3-(2,3-dimethoxy-5-methyl-phenyl)-3-methyl-2-oxo-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3R)-3-(2,3-dimethoxy-5-methylphenyl)-3-methyl-2-oxocyclopentyl] ester IUPAC Name: [(1R,3R)-3-(2,3-dimethoxy-5-methylphenyl)-3-methyl-2-oxocyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3R)-3-(2,3-dimethoxy-5-methyl-phenyl)-2-keto-3-methyl-cyclopentyl] ester Formula: C22H26O6S MolecularWeight: 418.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(C2=O)(C)C3=CC(=CC(=C3OC)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[C@](C2=O)(C)C3=CC(=CC(=C3OC)OC)C

InChI

InChI=1S/C22H26O6S/c1-14-6-8-16(9-7-14)29(24,25)28-18-10-11-22(3,21(18)23)17-12-15(2)13-19(26-4)20(17)27-5/h6-9,12-13,18H,10-11H2,1-5H3/t18-,22-/m1/s1