2-[6-(3-ethoxyphenyl)-3-oxidanylidene-hexyl]-2-ethyl-cyclopentane-1,3-dione

Systemtic Name: 2-[6-(3-ethoxyphenyl)-3-oxidanylidene-hexyl]-2-ethyl-cyclopentane-1,3-dione Openeye Name: 2-[6-(3-ethoxyphenyl)-3-oxo-hexyl]-2-ethyl-cyclopentane-1,3-dione CAS Name: 2-[6-(3-ethoxyphenyl)-3-oxohexyl]-2-ethylcyclopentane-1,3-dione IUPAC Name: 2-[6-(3-ethoxyphenyl)-3-oxohexyl]-2-ethylcyclopentane-1,3-dione Traditional Name: 2-ethyl-2-(3-keto-6-m-phenetyl-hexyl)cyclopentane-1,3-quinone Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OCC

Isomeric SMILES

CCC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OCC

InChI

InChI=1S/C21H28O4/c1-3-21(19(23)11-12-20(21)24)14-13-17(22)9-5-7-16-8-6-10-18(15-16)25-4-2/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3