(5E,10E)-9,12-bis(oxidanyl)-8-(1-oxidanyl-3-oxidanylidene-propyl)heptadeca-5,10-dienoic acid

Systemtic Name: (5E,10E)-9,12-bis(oxidanyl)-8-(1-oxidanyl-3-oxidanylidene-propyl)heptadeca-5,10-dienoic acid Openeye Name: (5E,10E)-9,12-dihydroxy-8-(1-hydroxy-3-oxo-propyl)heptadeca-5,10-dienoic acid CAS Name: (5E,10E)-9,12-dihydroxy-8-(1-hydroxy-3-oxopropyl)heptadeca-5,10-dienoic acid IUPAC Name: (5E,10E)-9,12-dihydroxy-8-(1-hydroxy-3-oxopropyl)heptadeca-5,10-dienoic acid Traditional Name: (5E,10E)-9,12-dihydroxy-8-(1-hydroxy-3-keto-propyl)heptadeca-5,10-dienoic acid Formula: C20H34O6 MolecularWeight: 370.48036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC(C(CC=CCCCC(=O)O)C(CC=O)O)O)O

Isomeric SMILES

CCCCCC(/C=C/C(C(C/C=C/CCCC(=O)O)C(CC=O)O)O)O

InChI

InChI=1S/C20H34O6/c1-2-3-6-9-16(22)12-13-18(23)17(19(24)14-15-21)10-7-4-5-8-11-20(25)26/h4,7,12-13,15-19,22-24H,2-3,5-6,8-11,14H2,1H3,(H,25,26)/b7-4+,13-12+