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

Systemtic Name: 2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2-(3-oxidanylpropyl)cyclopentane-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxo-hexyl]cyclopentane-1,3-dione CAS Name: 2-(3-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-2-[3-keto-6-(3-methoxyphenyl)hexyl]cyclopentane-1,3-quinone Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CCCO

Isomeric SMILES

COC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CCCO

InChI

InChI=1S/C21H28O5/c1-26-18-8-3-6-16(15-18)5-2-7-17(23)11-13-21(12-4-14-22)19(24)9-10-20(21)25/h3,6,8,15,22H,2,4-5,7,9-14H2,1H3