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

Systemtic Name: [(1S,2R,4R)-2-ethenyl-2-methyl-4-oxidanyl-cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2R,4R)-4-hydroxy-2-methyl-2-vinyl-cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2R,4R)-2-ethenyl-4-hydroxy-2-methylcyclohexyl]methyl ester IUPAC Name: [(1S,2R,4R)-2-ethenyl-4-hydroxy-2-methylcyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R,4R)-4-hydroxy-2-methyl-2-vinyl-cyclohexyl]methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2(C)C=C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4S/c1-4-17(3)11-15(18)8-7-14(17)12-21-22(19,20)16-9-5-13(2)6-10-16/h4-6,9-10,14-15,18H,1,7-8,11-12H2,2-3H3/t14-,15-,17+/m1/s1