[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-hexylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-hexylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H23BrO3/c1-2-3-4-5-6-16-7-9-18(10-8-16)21(24)25-15-20(23)17-11-13-19(22)14-12-17/h7-14H,2-6,15H2,1H3