[3-bis(phenylmethoxy)phosphinothioyloxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-bis(phenylmethoxy)phosphinothioyloxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: (3-dibenzyloxyphosphinothioyloxy-2-octadecanoyloxy-propyl) octadecanoate CAS Name: octadecanoic acid [3-bis(phenylmethoxy)phosphinothioyloxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-bis(phenylmethoxy)phosphinothioyloxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid (3-dibenzoxythiophosphoryloxy-2-stearoyloxy-propyl) ester Formula: C53H89O7PS MolecularWeight: 901.308321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=S)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=S)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H89O7PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-52(54)56-47-51(60-53(55)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-59-61(62,57-45-49-39-33-31-34-40-49)58-46-50-41-35-32-36-42-50/h31-36,39-42,51H,3-30,37-38,43-48H2,1-2H3