2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,4,4-trimethyl-cyclopentane-1,3-dione

Systemtic Name: 2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,4,4-trimethyl-cyclopentane-1,3-dione Openeye Name: 2-[6-(3-methoxyphenyl)-3-oxo-hexyl]-2,4,4-trimethyl-cyclopentane-1,3-dione CAS Name: 2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,4,4-trimethylcyclopentane-1,3-dione IUPAC Name: 2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,4,4-trimethylcyclopentane-1,3-dione Traditional Name: 2-[3-keto-6-(3-methoxyphenyl)hexyl]-2,4,4-trimethyl-cyclopentane-1,3-quinone Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C1=O)(C)CCC(=O)CCCC2=CC(=CC=C2)OC)C

Isomeric SMILES

CC1(CC(=O)C(C1=O)(C)CCC(=O)CCCC2=CC(=CC=C2)OC)C

InChI

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