8-[5-oxidanylidene-2-[(E)-3-oxidanylnon-1-enyl]-3-propan-2-yl-cyclopentyl]octanoic acid

Systemtic Name: 8-[5-oxidanylidene-2-[(E)-3-oxidanylnon-1-enyl]-3-propan-2-yl-cyclopentyl]octanoic acid Openeye Name: 8-[2-[(E)-3-hydroxynon-1-enyl]-3-isopropyl-5-oxo-cyclopentyl]octanoic acid CAS Name: 8-[2-[(E)-3-hydroxynon-1-enyl]-5-oxo-3-propan-2-ylcyclopentyl]octanoic acid IUPAC Name: 8-[2-[(E)-3-hydroxynon-1-enyl]-5-oxo-3-propan-2-ylcyclopentyl]octanoic acid Traditional Name: 8-[2-[(E)-3-hydroxynon-1-enyl]-3-isopropyl-5-keto-cyclopentyl]caprylic acid Formula: C25H44O4 MolecularWeight: 408.61446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CC1C(CC(=O)C1CCCCCCCC(=O)O)C(C)C)O

Isomeric SMILES

CCCCCCC(/C=C/C1C(CC(=O)C1CCCCCCCC(=O)O)C(C)C)O

InChI

InChI=1S/C25H44O4/c1-4-5-6-10-13-20(26)16-17-21-22(24(27)18-23(21)19(2)3)14-11-8-7-9-12-15-25(28)29/h16-17,19-23,26H,4-15,18H2,1-3H3,(H,28,29)/b17-16+