[2-[2-bromanyl-4-(phenylcarbonyl)phenyl]-3-oxidanylidene-cyclopenten-1-yl] hexanoate

Systemtic Name: [2-[2-bromanyl-4-(phenylcarbonyl)phenyl]-3-oxidanylidene-cyclopenten-1-yl] hexanoate Openeye Name: [2-(4-benzoyl-2-bromo-phenyl)-3-oxo-cyclopenten-1-yl] hexanoate CAS Name: hexanoic acid [2-(4-benzoyl-2-bromophenyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(4-benzoyl-2-bromophenyl)-3-oxocyclopenten-1-yl] hexanoate Traditional Name: hexanoic acid [2-(4-benzoyl-2-bromo-phenyl)-3-keto-cyclopenten-1-yl] ester Formula: C24H23BrO4 MolecularWeight: 455.34102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C24H23BrO4/c1-2-3-5-10-22(27)29-21-14-13-20(26)23(21)18-12-11-17(15-19(18)25)24(28)16-8-6-4-7-9-16/h4,6-9,11-12,15H,2-3,5,10,13-14H2,1H3