[4-[(E)-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-fluorophenyl)-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(4-fluorophenyl)-3-keto-prop-1-enyl]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)F)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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