(2-oxidanyl-3-phosphonooxy-propyl) (9Z,11E,15Z)-13-(dioxidanyl)octadeca-9,11,15-trienoate

Systemtic Name: (2-oxidanyl-3-phosphonooxy-propyl) (9Z,11E,15Z)-13-(dioxidanyl)octadeca-9,11,15-trienoate Openeye Name: (2-hydroxy-3-phosphonooxy-propyl) (9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate CAS Name: (9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) (9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate Traditional Name: (9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (2-hydroxy-3-phosphonooxy-propyl) ester Formula: C21H37O9P MolecularWeight: 464.486841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C=CC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O)OO

Isomeric SMILES

CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O)OO

InChI

InChI=1S/C21H37O9P/c1-2-3-11-14-20(30-24)15-12-9-7-5-4-6-8-10-13-16-21(23)28-17-19(22)18-29-31(25,26)27/h3,7,9,11-12,15,19-20,22,24H,2,4-6,8,10,13-14,16-18H2,1H3,(H2,25,26,27)/b9-7-,11-3-,15-12+