2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxidanyl-cyclohex-2-en-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxidanyl-cyclohex-2-en-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-hydroxy-cyclohex-2-en-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-hydroxy-1-cyclohex-2-enyl]ethyl ester IUPAC Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-hydroxycyclohex-2-en-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-hydroxy-cyclohex-2-en-1-yl]ethyl ester Formula: C23H28O6S MolecularWeight: 432.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCC(C=C2)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@]2(CCC(C=C2)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28O6S/c1-17-4-7-20(8-5-17)30(25,26)29-15-14-23(12-10-19(24)11-13-23)18-6-9-21(27-2)22(16-18)28-3/h4-10,12,16,19,24H,11,13-15H2,1-3H3/t19?,23-/m1/s1