[3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [3-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 2-bromanylbenzoate Openeye Name: [3-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 2-bromobenzoate CAS Name: 2-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] 2-bromobenzoate Traditional Name: 2-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=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Br

InChI

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