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

Systemtic Name: (2-oxidanyl-3-phosphonooxy-propyl) (9Z,11E)-13-(dioxidanyl)octadeca-9,11-dienoate Openeye Name: (2-hydroxy-3-phosphonooxy-propyl) (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate CAS Name: (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate Traditional Name: (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid (2-hydroxy-3-phosphonooxy-propyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39O9P/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/h7,9,12,15,19-20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3,(H2,25,26,27)/b9-7-,15-12+