2-[3-oxidanylidene-6-(3-propoxyphenyl)hexyl]-2-phenethyl-cyclopentane-1,3-dione

Systemtic Name: 2-[3-oxidanylidene-6-(3-propoxyphenyl)hexyl]-2-phenethyl-cyclopentane-1,3-dione Openeye Name: 2-[3-oxo-6-(3-propoxyphenyl)hexyl]-2-phenethyl-cyclopentane-1,3-dione CAS Name: 2-[3-oxo-6-(3-propoxyphenyl)hexyl]-2-phenethylcyclopentane-1,3-dione IUPAC Name: 2-[3-oxo-6-(3-propoxyphenyl)hexyl]-2-phenethylcyclopentane-1,3-dione Traditional Name: 2-[3-keto-6-(3-propoxyphenyl)hexyl]-2-phenethyl-cyclopentane-1,3-quinone Formula: C28H34O4 MolecularWeight: 434.56716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)CCCC(=O)CCC2(C(=O)CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H34O4/c1-2-20-32-25-13-7-11-23(21-25)10-6-12-24(29)17-19-28(26(30)14-15-27(28)31)18-16-22-8-4-3-5-9-22/h3-5,7-9,11,13,21H,2,6,10,12,14-20H2,1H3