2-[2-(3,4-dimethoxyphenyl)-1-oxidanyl-cyclohexyl]propyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1-oxidanyl-cyclohexyl]propyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-1-hydroxy-cyclohexyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(3,4-dimethoxyphenyl)-1-hydroxycyclohexyl]propyl ester IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1-hydroxycyclohexyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(3,4-dimethoxyphenyl)-1-hydroxy-cyclohexyl]propyl ester Formula: C24H32O6S MolecularWeight: 448.57228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2(CCCCC2C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2(CCCCC2C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C24H32O6S/c1-17-8-11-20(12-9-17)31(26,27)30-16-18(2)24(25)14-6-5-7-21(24)19-10-13-22(28-3)23(15-19)29-4/h8-13,15,18,21,25H,5-7,14,16H2,1-4H3