(1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,12Z,14E)-16-(dioxidanyl)octadeca-9,12,14-trienoate

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,12Z,14E)-16-(dioxidanyl)octadeca-9,12,14-trienoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] (9Z,12Z,14E)-16-hydroperoxyoctadeca-9,12,14-trienoate CAS Name: (9Z,12Z,14E)-16-hydroperoxyoctadeca-9,12,14-trienoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) (9Z,12Z,14E)-16-hydroperoxyoctadeca-9,12,14-trienoate Traditional Name: (9Z,12Z,14E)-16-hydroperoxyoctadeca-9,12,14-trienoic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H37O9P MolecularWeight: 464.486841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37O9P/c1-2-19(30-24)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(23)29-20(17-22)18-28-31(25,26)27/h3,5,9,11,13,15,19-20,22,24H,2,4,6-8,10,12,14,16-18H2,1H3,(H2,25,26,27)/b5-3-,11-9-,15-13+