2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2-propyl-cyclopentane-1,3-dione

Systemtic Name: 2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2-propyl-cyclopentane-1,3-dione Openeye Name: 2-[6-(3-methoxyphenyl)-3-oxo-hexyl]-2-propyl-cyclopentane-1,3-dione CAS Name: 2-[6-(3-methoxyphenyl)-3-oxohexyl]-2-propylcyclopentane-1,3-dione IUPAC Name: 2-[6-(3-methoxyphenyl)-3-oxohexyl]-2-propylcyclopentane-1,3-dione Traditional Name: 2-[3-keto-6-(3-methoxyphenyl)hexyl]-2-propyl-cyclopentane-1,3-quinone Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC

Isomeric SMILES

CCCC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H28O4/c1-3-13-21(19(23)10-11-20(21)24)14-12-17(22)8-4-6-16-7-5-9-18(15-16)25-2/h5,7,9,15H,3-4,6,8,10-14H2,1-2H3