[2-(2,4-dimethylphenyl)-3-oxidanylidene-cyclopenten-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-3-oxidanylidene-cyclopenten-1-yl] 2-ethylhexanoate Openeye Name: [2-(2,4-dimethylphenyl)-3-oxo-cyclopenten-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2,4-dimethylphenyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-3-oxocyclopenten-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2,4-dimethylphenyl)-3-keto-cyclopenten-1-yl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CC1)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CC1)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H28O3/c1-5-7-8-16(6-2)21(23)24-19-12-11-18(22)20(19)17-10-9-14(3)13-15(17)4/h9-10,13,16H,5-8,11-12H2,1-4H3