[3-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H23BrO3 MolecularWeight: 463.36302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H23BrO3/c1-26(2,3)21-12-8-20(9-13-21)25(29)30-23-6-4-5-18(17-23)7-16-24(28)19-10-14-22(27)15-11-19/h4-17H,1-3H3/b16-7+