[1-bis(oxidanyl)phosphinothioyloxy-3-methoxy-propan-2-yl] (9E,11E,13E)-octadeca-9,11,13-trienoate

Systemtic Name: [1-bis(oxidanyl)phosphinothioyloxy-3-methoxy-propan-2-yl] (9E,11E,13E)-octadeca-9,11,13-trienoate Openeye Name: [1-(dihydroxyphosphinothioyloxymethyl)-2-methoxy-ethyl] (9E,11E,13E)-octadeca-9,11,13-trienoate CAS Name: (9E,11E,13E)-octadeca-9,11,13-trienoic acid (1-dihydroxyphosphinothioyloxy-3-methoxypropan-2-yl) ester IUPAC Name: (1-dihydroxyphosphinothioyloxy-3-methoxypropan-2-yl) (9E,11E,13E)-octadeca-9,11,13-trienoate Traditional Name: (9E,11E,13E)-octadeca-9,11,13-trienoic acid [1-(dihydroxythiophosphoryloxymethyl)-2-methoxy-ethyl] ester Formula: C22H39O6PS MolecularWeight: 462.580221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CC=CCCCCCCCC(=O)OC(COC)COP(=S)(O)O

Isomeric SMILES

CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC(COC)COP(=S)(O)O

InChI

InChI=1S/C22H39O6PS/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/h6-11,21H,3-5,12-20H2,1-2H3,(H2,24,25,30)/b7-6+,9-8+,11-10+