[3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [3-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]phenyl] ester Formula: C23H17BrO3 MolecularWeight: 421.28328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H17BrO3/c1-16-5-8-18(9-6-16)22(25)14-7-17-3-2-4-21(15-17)27-23(26)19-10-12-20(24)13-11-19/h2-15H,1H3/b14-7+