3-[5-[(2E,6Z,9Z,12Z)-1,4-bis(oxidanyl)pentadeca-2,6,9,12-tetraenyl]-3-oxidanyl-oxolan-2-yl]propanoic acid

Systemtic Name: 3-[5-[(2E,6Z,9Z,12Z)-1,4-bis(oxidanyl)pentadeca-2,6,9,12-tetraenyl]-3-oxidanyl-oxolan-2-yl]propanoic acid Openeye Name: 3-[5-[(2E,6Z,9Z,12Z)-1,4-dihydroxypentadeca-2,6,9,12-tetraenyl]-3-hydroxy-tetrahydrofuran-2-yl]propanoic acid CAS Name: 3-[5-[(2E,6Z,9Z,12Z)-1,4-dihydroxypentadeca-2,6,9,12-tetraenyl]-3-hydroxy-2-oxolanyl]propanoic acid IUPAC Name: 3-[5-[(2E,6Z,9Z,12Z)-1,4-dihydroxypentadeca-2,6,9,12-tetraenyl]-3-hydroxyoxolan-2-yl]propanoic acid Traditional Name: 3-[5-[(2E,6Z,9Z,12Z)-1,4-dihydroxypentadeca-2,6,9,12-tetraenyl]-3-hydroxy-tetrahydrofuran-2-yl]propionic acid Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCC(C=CC(C1CC(C(O1)CCC(=O)O)O)O)O

Isomeric SMILES

CC/C=C\C/C=C\C/C=C\CC(/C=C/C(C1CC(C(O1)CCC(=O)O)O)O)O

InChI

InChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-10-11-17(23)12-13-18(24)21-16-19(25)20(28-21)14-15-22(26)27/h3-4,6-7,9-10,12-13,17-21,23-25H,2,5,8,11,14-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12+