[(E)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)prop-2-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)prop-2-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)allyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-3-(1-cyclohex-3-enyl)-2-(4-fluorophenyl)prop-2-enyl] ester IUPAC Name: [(E)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)prop-2-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)allyl] ester Formula: C22H23FO3S MolecularWeight: 386.479623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=CC2CCC=CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC/C(=C/C2CCC=CC2)/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FO3S/c1-17-7-13-22(14-8-17)27(24,25)26-16-20(15-18-5-3-2-4-6-18)19-9-11-21(23)12-10-19/h2-3,7-15,18H,4-6,16H2,1H3/b20-15-