[3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-octadecoxy-propyl] octadecanoate

Systemtic Name: [3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-octadecoxy-propyl] octadecanoate Openeye Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-octadecoxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-octadecoxypropyl] ester IUPAC Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-octadecoxypropyl] octadecanoate Traditional Name: stearic acid [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-stearyloxy-propyl] ester Formula: C45H91O7P MolecularWeight: 775.173601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCC(C)(C)C

InChI

InChI=1S/C45H91O7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3,(H,47,48)