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[3-[3-(disulfanyl)hexoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

[3-[3-(disulfanyl)hexoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name:[3-[3-(disulfanyl)hexoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate
Openeye Name:[3-[3-(disulfanyl)hexoxy-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate
CAS Name:octadecanoic acid [3-[3-(disulfanyl)hexoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester
IUPAC Name:[3-[3-(disulfanyl)hexoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Traditional Name:stearic acid [3-[3-(disulfanyl)hexoxy-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester
Formula: C45H89O8PS2
MolecularWeight: 853.287121
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(CCC)SS)OC(=O)CCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(CCC)SS)OC(=O)CCCCCCCCCCCCCCCCC


InChI

InChI=1S/C45H89O8PS2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(46)50-40-42(41-52-54(48,49)51-39-38-43(56-55)35-6-3)53-45(47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h42-43,55H,4-41H2,1-3H3,(H,48,49)


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