[3-[2-[(4-azido-2-oxidanyl-phenyl)carbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[2-[(4-azido-2-oxidanyl-phenyl)carbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[2-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-[(4-azido-2-hydroxybenzoyl)amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C44H77N4O10P MolecularWeight: 853.076741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C1=C(C=C(C=C1)N=[N+]=[N-])O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C1=C(C=C(C=C1)N=[N+]=[N-])O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H77N4O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(50)55-36-39(58-43(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-57-59(53,54)56-34-33-46-44(52)40-32-31-38(47-48-45)35-41(40)49/h31-32,35,39,49H,3-30,33-34,36-37H2,1-2H3,(H,46,52)(H,53,54)