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

Systemtic Name: [(2R)-3-[2-[(4-azido-2-nitro-phenyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[2-(4-azido-2-nitro-anilino)ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[2-(4-azido-2-nitroanilino)ethoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[2-(4-azido-2-nitroanilino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[2-(4-azido-2-nitro-anilino)ethoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C43H76N5O10P MolecularWeight: 854.064801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H76N5O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(49)55-36-39(58-43(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-57-59(53,54)56-34-33-45-40-32-31-38(46-47-44)35-41(40)48(51)52/h31-32,35,39,45H,3-30,33-34,36-37H2,1-2H3,(H,53,54)/t39-/m1/s1