[(2R)-2-[(1S,3S,4S)-4-methyl-3-oxidanyl-cyclohexyl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[(1S,3S,4S)-4-methyl-3-oxidanyl-cyclohexyl]propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(1S,3S,4S)-3-hydroxy-4-methyl-cyclohexyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]propyl] ester IUPAC Name: [(2R)-2-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[(1S,3S,4S)-3-hydroxy-4-methyl-cyclohexyl]propyl] ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1O)C(C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-12-4-8-16(9-5-12)22(19,20)21-11-14(3)15-7-6-13(2)17(18)10-15/h4-5,8-9,13-15,17-18H,6-7,10-11H2,1-3H3/t13-,14-,15-,17-/m0/s1