[1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Systemtic Name: [1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Openeye Name: [1-(dihydroxyphosphinothioyloxymethyl)-2-hydroxy-ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) ester IUPAC Name: (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Traditional Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [1-(dihydroxythiophosphoryloxymethyl)-2-hydroxy-ethyl] ester Formula: C21H37O6PS MolecularWeight: 448.553641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37O6PS/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/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,29)/b4-3-,7-6-,10-9-