[(1S,2S,5S)-2-methyl-2,5-bis(oxidanyl)-5-propan-2-yl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,5S)-2-methyl-2,5-bis(oxidanyl)-5-propan-2-yl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S,5S)-2,5-dihydroxy-5-isopropyl-2-methyl-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,5S)-2,5-dihydroxy-2-methyl-5-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5S)-2,5-dihydroxy-2-methyl-5-propan-2-ylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,5S)-2,5-dihydroxy-5-isopropyl-2-methyl-cyclohexyl] ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CCC2(C)O)(C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H26O5S/c1-12(2)17(19)10-9-16(4,18)15(11-17)22-23(20,21)14-7-5-13(3)6-8-14/h5-8,12,15,18-19H,9-11H2,1-4H3/t15-,16-,17-/m0/s1