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

Systemtic Name: [1-bis(oxidanyl)phosphinothioyloxy-3-methoxy-propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [1-(dihydroxyphosphinothioyloxymethyl)-2-methoxy-ethyl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid (1-dihydroxyphosphinothioyloxy-3-methoxypropan-2-yl) ester IUPAC Name: (1-dihydroxyphosphinothioyloxy-3-methoxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [1-(dihydroxythiophosphoryloxymethyl)-2-methoxy-ethyl] ester Formula: C22H41O6PS MolecularWeight: 464.596101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-21(19-26-2)20-27-29(24,25)30/h7-8,10-11,21H,3-6,9,12-20H2,1-2H3,(H2,24,25,30)/b8-7-,11-10-