[(3E)-2,2,6-trimethyl-6-oxidanyl-3-[2-(phenylsulfonyl)ethylidene]cyclohexyl]methyl ethanoate

Systemtic Name: [(3E)-2,2,6-trimethyl-6-oxidanyl-3-[2-(phenylsulfonyl)ethylidene]cyclohexyl]methyl ethanoate Openeye Name: [(3E)-3-[2-(benzenesulfonyl)ethylidene]-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl acetate CAS Name: acetic acid [(3E)-3-[2-(benzenesulfonyl)ethylidene]-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl ester IUPAC Name: [(3E)-3-[2-(benzenesulfonyl)ethylidene]-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl acetate Traditional Name: acetic acid [(3E)-3-(2-besylethylidene)-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(=CCS(=O)(=O)C2=CC=CC=C2)CCC1(C)O)(C)C

Isomeric SMILES

CC(=O)OCC1C(/C(=C/CS(=O)(=O)C2=CC=CC=C2)/CCC1(C)O)(C)C

InChI

InChI=1S/C20H28O5S/c1-15(21)25-14-18-19(2,3)16(10-12-20(18,4)22)11-13-26(23,24)17-8-6-5-7-9-17/h5-9,11,18,22H,10,12-14H2,1-4H3/b16-11+