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

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,11E)-13-(dioxidanyl)octadeca-9,11-dienoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate CAS Name: (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate Traditional Name: (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)O)OO

Isomeric SMILES

CCCCCC(/C=C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)O)OO

InChI

InChI=1S/C21H39O9P/c1-2-3-11-14-19(30-24)15-12-9-7-5-4-6-8-10-13-16-21(23)29-20(17-22)18-28-31(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+