[4,4-bis(4-fluorophenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-bis(4-fluorophenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4,4-bis(4-fluorophenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-bis(4-fluorophenyl)cyclohexyl] ester IUPAC Name: [4,4-bis(4-fluorophenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,4-bis(4-fluorophenyl)cyclohexyl] ester Formula: C25H24F2O3S MolecularWeight: 442.518066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24F2O3S/c1-18-2-12-24(13-3-18)31(28,29)30-23-14-16-25(17-15-23,19-4-8-21(26)9-5-19)20-6-10-22(27)11-7-20/h2-13,23H,14-17H2,1H3