[2-[2,6-bis(chloranyl)phenyl]-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-[2,6-bis(chloranyl)phenyl]-4,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(2,6-dichlorophenyl)-4,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2,6-dichlorophenyl)-4,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,6-dichlorophenyl)-4,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2,6-dichlorophenyl)-3-keto-4,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H28Cl2O3 MolecularWeight: 411.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)C(C(C1)C)C)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)C(C(C1)C)C)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C22H28Cl2O3/c1-5-7-9-15(6-2)22(26)27-18-12-13(3)14(4)21(25)20(18)19-16(23)10-8-11-17(19)24/h8,10-11,13-15H,5-7,9,12H2,1-4H3