(1-oxidanyl-3-phosphonooxy-propan-2-yl) (8E,12Z)-10-(dioxidanyl)octadeca-8,12-dienoate

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) (8E,12Z)-10-(dioxidanyl)octadeca-8,12-dienoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] (8E,12Z)-10-hydroperoxyoctadeca-8,12-dienoate CAS Name: (8E,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) (8E,12Z)-10-hydroperoxyoctadeca-8,12-dienoate Traditional Name: (8E,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CCCCCCCC(=O)OC(CO)COP(=O)(O)O)OO

Isomeric SMILES

CCCCC/C=C\CC(/C=C/CCCCCCC(=O)OC(CO)COP(=O)(O)O)OO

InChI

InChI=1S/C21H39O9P/c1-2-3-4-5-8-11-14-19(30-24)15-12-9-6-7-10-13-16-21(23)29-20(17-22)18-28-31(25,26)27/h8,11-12,15,19-20,22,24H,2-7,9-10,13-14,16-18H2,1H3,(H2,25,26,27)/b11-8-,15-12+