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

Systemtic Name: 2-[6-(3-hydroxyphenyl)-3-oxidanylidene-hexyl]-2-phenethyl-cyclopentane-1,3-dione Openeye Name: 2-[6-(3-hydroxyphenyl)-3-oxo-hexyl]-2-phenethyl-cyclopentane-1,3-dione CAS Name: 2-[6-(3-hydroxyphenyl)-3-oxohexyl]-2-phenethylcyclopentane-1,3-dione IUPAC Name: 2-[6-(3-hydroxyphenyl)-3-oxohexyl]-2-phenethylcyclopentane-1,3-dione Traditional Name: 2-[6-(3-hydroxyphenyl)-3-keto-hexyl]-2-phenethyl-cyclopentane-1,3-quinone Formula: C25H28O4 MolecularWeight: 392.48742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1=O)(CCC2=CC=CC=C2)CCC(=O)CCCC3=CC(=CC=C3)O

Isomeric SMILES

C1CC(=O)C(C1=O)(CCC2=CC=CC=C2)CCC(=O)CCCC3=CC(=CC=C3)O

InChI

InChI=1S/C25H28O4/c26-21(10-4-8-20-9-5-11-22(27)18-20)15-17-25(23(28)12-13-24(25)29)16-14-19-6-2-1-3-7-19/h1-3,5-7,9,11,18,27H,4,8,10,12-17H2