[2-hexadecanoyloxy-3-[2-(phenylmethoxycarbonylamino)ethanoyloxy]propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[2-(phenylmethoxycarbonylamino)ethanoyloxy]propyl] hexadecanoate Openeye Name: [3-[2-(benzyloxycarbonylamino)acetyl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-[1-oxo-2-(phenylmethoxycarbonylamino)ethoxy]propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-[2-(phenylmethoxycarbonylamino)acetyl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[2-(benzyloxycarbonylamino)acetyl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C45H77NO8 MolecularWeight: 760.09478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CNC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CNC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-42(47)51-38-41(39-52-44(49)36-46-45(50)53-37-40-32-28-27-29-33-40)54-43(48)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,41H,3-26,30-31,34-39H2,1-2H3,(H,46,50)