[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(4-fluorophenyl)acryloyl]phenyl] ester Formula: C21H14ClFO4S MolecularWeight: 416.849863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H14ClFO4S/c22-17-6-12-20(13-7-17)28(25,26)27-19-10-4-16(5-11-19)21(24)14-3-15-1-8-18(23)9-2-15/h1-14H/b14-3+