[4-ethoxy-4-(2-ethyl-5-fluoranyl-phenyl)cyclohexyl] benzenesulfonate

Systemtic Name: [4-ethoxy-4-(2-ethyl-5-fluoranyl-phenyl)cyclohexyl] benzenesulfonate Openeye Name: [4-ethoxy-4-(2-ethyl-5-fluoro-phenyl)cyclohexyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-ethoxy-4-(2-ethyl-5-fluorophenyl)cyclohexyl] ester IUPAC Name: [4-ethoxy-4-(2-ethyl-5-fluorophenyl)cyclohexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-ethoxy-4-(2-ethyl-5-fluoro-phenyl)cyclohexyl] ester Formula: C22H27FO4S MolecularWeight: 406.510783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)F)C2(CCC(CC2)OS(=O)(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCC1=C(C=C(C=C1)F)C2(CCC(CC2)OS(=O)(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H27FO4S/c1-3-17-10-11-18(23)16-21(17)22(26-4-2)14-12-19(13-15-22)27-28(24,25)20-8-6-5-7-9-20/h5-11,16,19H,3-4,12-15H2,1-2H3