(1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,13E)-12-(dioxidanyl)octadeca-9,13-dienoate

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,13E)-12-(dioxidanyl)octadeca-9,13-dienoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] (9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoate CAS Name: (9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) (9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoate Traditional Name: (9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(CC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)O)OO

Isomeric SMILES

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

InChI

InChI=1S/C21H39O9P/c1-2-3-4-11-14-19(30-24)15-12-9-7-5-6-8-10-13-16-21(23)29-20(17-22)18-28-31(25,26)27/h9,11-12,14,19-20,22,24H,2-8,10,13,15-18H2,1H3,(H2,25,26,27)/b12-9-,14-11+