[1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: [1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [1-(dihydroxyphosphinothioyloxymethyl)-2-hydroxy-ethyl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) ester IUPAC Name: (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [1-(dihydroxythiophosphoryloxymethyl)-2-hydroxy-ethyl] ester Formula: C21H39O6PS MolecularWeight: 450.569521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COP(=S)(O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=S)(O)O

InChI

InChI=1S/C21H39O6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-20(18-22)19-26-28(24,25)29/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,29)/b7-6-,10-9-