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

Systemtic Name: [3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-docosoxy-propyl] octadecanoate Openeye Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-docosoxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-docosoxypropyl] ester IUPAC Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-docosoxypropyl] octadecanoate Traditional Name: stearic acid [2-behenyloxy-3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-propyl] ester Formula: C49H99O7P MolecularWeight: 831.279921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H99O7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-47(46-56-57(51,52)55-44-42-49(3,4)5)45-54-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3,(H,51,52)