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

Systemtic Name: [3-[3,3-dimethylbutoxy(oxidanyl)phosphoryl]oxy-2-hexadecoxy-propyl] octadecanoate Openeye Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-hexadecoxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-hexadecoxypropyl] ester IUPAC Name: [3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-2-hexadecoxypropyl] octadecanoate Traditional Name: stearic acid [2-cetyloxy-3-[3,3-dimethylbutoxy(hydroxy)phosphoryl]oxy-propyl] ester Formula: C43H87O7P MolecularWeight: 747.120441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(C)(C)C)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(C)(C)C)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H87O7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)48-39-41(40-50-51(45,46)49-38-36-43(3,4)5)47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3,(H,45,46)