(E)-7-[2-(4-methyl-4-oxidanyl-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-3-enoic acid

Systemtic Name: (E)-7-[2-(4-methyl-4-oxidanyl-octyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-3-enoic acid Openeye Name: (E)-7-[3-hydroxy-2-(4-hydroxy-4-methyl-octyl)-5-oxo-cyclopentyl]hept-3-enoic acid CAS Name: (E)-7-[3-hydroxy-2-(4-hydroxy-4-methyloctyl)-5-oxocyclopentyl]-3-heptenoic acid IUPAC Name: (E)-7-[3-hydroxy-2-(4-hydroxy-4-methyloctyl)-5-oxocyclopentyl]hept-3-enoic acid Traditional Name: (E)-7-[3-hydroxy-2-(4-hydroxy-4-methyl-octyl)-5-keto-cyclopentyl]hept-3-enoic acid Formula: C21H36O5 MolecularWeight: 368.50754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCCC1C(CC(=O)C1CCCC=CCC(=O)O)O)O

Isomeric SMILES

CCCCC(C)(CCCC1C(CC(=O)C1CCC/C=C/CC(=O)O)O)O

InChI

InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h6,8,16-17,19,23,26H,3-5,7,9-15H2,1-2H3,(H,24,25)/b8-6+