[2-(2-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(2-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(2-chlorophenyl)-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-chlorophenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chlorophenyl)-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2-chlorophenyl)-3-keto-cyclohexen-1-yl] ester Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CCC1)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CCC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H25ClO3/c1-3-5-9-14(4-2)20(23)24-18-13-8-12-17(22)19(18)15-10-6-7-11-16(15)21/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3