butyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: butyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-furyl]benzoic acid butyl ester Formula: C24H21BrO4 MolecularWeight: 453.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H21BrO4/c1-2-3-16-28-24(27)19-6-4-18(5-7-19)23-15-13-21(29-23)12-14-22(26)17-8-10-20(25)11-9-17/h4-15H,2-3,16H2,1H3/b14-12+