[2-(4,4-dimethoxycyclohexen-1-yl)-6,6-dimethoxy-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4,4-dimethoxycyclohexen-1-yl)-6,6-dimethoxy-hexyl] 4-methylbenzenesulfonate Openeye Name: [2-(4,4-dimethoxycyclohexen-1-yl)-6,6-dimethoxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4,4-dimethoxy-1-cyclohexenyl)-6,6-dimethoxyhexyl] ester IUPAC Name: [2-(4,4-dimethoxycyclohexen-1-yl)-6,6-dimethoxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4,4-dimethoxycyclohexen-1-yl)-6,6-dimethoxy-hexyl] ester Formula: C23H36O7S MolecularWeight: 456.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCC(OC)OC)C2=CCC(CC2)(OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCC(OC)OC)C2=CCC(CC2)(OC)OC

InChI

InChI=1S/C23H36O7S/c1-18-9-11-21(12-10-18)31(24,25)30-17-20(7-6-8-22(26-2)27-3)19-13-15-23(28-4,29-5)16-14-19/h9-13,20,22H,6-8,14-17H2,1-5H3