[2-[(E)-3-oxidanylidene-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-[(E)-3-oxidanylidene-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-fluoranylbenzoate Openeye Name: [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[(E)-3-keto-3-(4-phenylphenyl)prop-1-enyl]phenyl] ester Formula: C28H19FO3 MolecularWeight: 422.447063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H19FO3/c29-25-17-14-24(15-18-25)28(31)32-27-9-5-4-8-23(27)16-19-26(30)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-19H/b19-16+