[1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] octadecanoate

Systemtic Name: [1-bis(oxidanyl)phosphinothioyloxy-3-oxidanyl-propan-2-yl] octadecanoate Openeye Name: [1-(dihydroxyphosphinothioyloxymethyl)-2-hydroxy-ethyl] octadecanoate CAS Name: octadecanoic acid (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) ester IUPAC Name: (1-dihydroxyphosphinothioyloxy-3-hydroxypropan-2-yl) octadecanoate Traditional Name: stearic acid [1-(dihydroxythiophosphoryloxymethyl)-2-hydroxy-ethyl] ester Formula: C21H43O6PS MolecularWeight: 454.601281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=S)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=S)(O)O

InChI

InChI=1S/C21H43O6PS/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/h20,22H,2-19H2,1H3,(H2,24,25,29)