[(1S,2S)-2-but-3-enyl-1-oxidanyl-4-oxidanylidene-3-propan-2-yl-cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-but-3-enyl-1-oxidanyl-4-oxidanylidene-3-propan-2-yl-cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-but-3-enyl-1-hydroxy-3-isopropyl-4-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-but-3-enyl-1-hydroxy-4-oxo-3-propan-2-ylcyclohexyl]methyl ester IUPAC Name: [(1S,2S)-2-but-3-enyl-1-hydroxy-4-oxo-3-propan-2-ylcyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-but-3-enyl-1-hydroxy-3-isopropyl-4-keto-cyclohexyl]methyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCC(=O)C(C2CCC=C)C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5S/c1-5-6-7-18-20(15(2)3)19(22)12-13-21(18,23)14-26-27(24,25)17-10-8-16(4)9-11-17/h5,8-11,15,18,20,23H,1,6-7,12-14H2,2-4H3/t18-,20?,21+/m0/s1