[(1S,2R)-2-prop-2-enylcyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2R)-2-prop-2-enylcyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2R)-2-allylcyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-prop-2-enylcyclohexyl] ester IUPAC Name: [(1S,2R)-2-prop-2-enylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-allylcyclohexyl] ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2CC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3S/c1-3-6-14-7-4-5-8-16(14)19-20(17,18)15-11-9-13(2)10-12-15/h3,9-12,14,16H,1,4-8H2,2H3/t14-,16-/m0/s1