(1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,12Z,16E)-15-(dioxidanyl)octadeca-9,12,16-trienoate

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) (9Z,12Z,16E)-15-(dioxidanyl)octadeca-9,12,16-trienoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] (9Z,12Z,16E)-15-hydroperoxyoctadeca-9,12,16-trienoate CAS Name: (9Z,12Z,16E)-15-hydroperoxyoctadeca-9,12,16-trienoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) (9Z,12Z,16E)-15-hydroperoxyoctadeca-9,12,16-trienoate Traditional Name: (9Z,12Z,16E)-15-hydroperoxyoctadeca-9,12,16-trienoic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H37O9P MolecularWeight: 464.486841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37O9P/c1-2-14-19(30-24)15-12-10-8-6-4-3-5-7-9-11-13-16-21(23)29-20(17-22)18-28-31(25,26)27/h2,4,6,10,12,14,19-20,22,24H,3,5,7-9,11,13,15-18H2,1H3,(H2,25,26,27)/b6-4-,12-10-,14-2+