(E)-7-[1-methyl-5-oxidanylidene-2-(3-oxidanyloctyl)cyclopent-2-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[1-methyl-5-oxidanylidene-2-(3-oxidanyloctyl)cyclopent-2-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxo-1-cyclopent-2-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(3-hydroxyoctyl)-1-methyl-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-(3-hydroxyoctyl)-5-keto-1-methyl-cyclopent-2-en-1-yl]hept-5-enoic acid Formula: C21H34O4 MolecularWeight: 350.49226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1=CCC(=O)C1(C)CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(CCC1=CCC(=O)C1(C)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H34O4/c1-3-4-7-10-18(22)14-12-17-13-15-19(23)21(17,2)16-9-6-5-8-11-20(24)25/h6,9,13,18,22H,3-5,7-8,10-12,14-16H2,1-2H3,(H,24,25)/b9-6+