[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(E)-3-(3-chlorophenyl)acryloyl]phenyl] ester Formula: C21H14ClFO4S MolecularWeight: 416.849863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClFO4S/c22-17-3-1-2-15(14-17)4-13-21(24)16-5-9-19(10-6-16)27-28(25,26)20-11-7-18(23)8-12-20/h1-14H/b13-4+