[(1R,2R,3S,5S)-2-methyl-5-oxidanyl-3-(phenylmethoxymethyl)cyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R,3S,5S)-2-methyl-5-oxidanyl-3-(phenylmethoxymethyl)cyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1R,2R,3S,5S)-3-(benzyloxymethyl)-5-hydroxy-2-methyl-cyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R,3S,5S)-5-hydroxy-2-methyl-3-(phenylmethoxymethyl)cyclopentyl]methyl ester IUPAC Name: [(1R,2R,3S,5S)-5-hydroxy-2-methyl-3-(phenylmethoxymethyl)cyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R,3S,5S)-3-(benzoxymethyl)-5-hydroxy-2-methyl-cyclopentyl]methyl ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C1COS(=O)(=O)C2=CC=C(C=C2)C)O)COCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](C[C@@H]([C@H]1COS(=O)(=O)C2=CC=C(C=C2)C)O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H28O5S/c1-16-8-10-20(11-9-16)28(24,25)27-15-21-17(2)19(12-22(21)23)14-26-13-18-6-4-3-5-7-18/h3-11,17,19,21-23H,12-15H2,1-2H3/t17-,19-,21+,22+/m1/s1