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

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-3-keto-3-(4-phenylphenyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H21BrO4 MolecularWeight: 513.37864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H21BrO4/c1-33-28-19-20(8-18-27(28)34-29(32)24-13-15-25(30)16-14-24)7-17-26(31)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-19H,1H3/b17-7+