[(2R,3R)-3,7-dimethyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]oct-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-3,7-dimethyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]oct-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3,7-dimethyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]oct-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-3,7-dimethyl-2-[(1S)-1-methyl-1-cyclohex-2-enyl]oct-6-enyl] ester IUPAC Name: [(2R,3R)-3,7-dimethyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]oct-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3,7-dimethyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]oct-6-enyl] ester Formula: C24H36O3S MolecularWeight: 404.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)CCC=C(C)C)C2(CCCC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H](C)CCC=C(C)C)[C@]2(CCCC=C2)C

InChI

InChI=1S/C24H36O3S/c1-19(2)10-9-11-21(4)23(24(5)16-7-6-8-17-24)18-27-28(25,26)22-14-12-20(3)13-15-22/h7,10,12-16,21,23H,6,8-9,11,17-18H2,1-5H3/t21-,23-,24-/m1/s1