[3-(4-chlorophenyl)-4-oxidanylidene-2-bicyclo[3.2.0]hept-2-enyl] octanoate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-bicyclo[3.2.0]hept-2-enyl] octanoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-bicyclo[3.2.0]hept-2-enyl] octanoate CAS Name: octanoic acid [3-(4-chlorophenyl)-4-oxo-2-bicyclo[3.2.0]hept-2-enyl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-bicyclo[3.2.0]hept-2-enyl] octanoate Traditional Name: caprylic acid [3-(4-chlorophenyl)-4-keto-2-bicyclo[3.2.0]hept-2-enyl] ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)C2C1CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)C2C1CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClO3/c1-2-3-4-5-6-7-18(23)25-21-17-13-12-16(17)20(24)19(21)14-8-10-15(22)11-9-14/h8-11,16-17H,2-7,12-13H2,1H3