[(2R)-3-[2-[(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [(2R)-3-[2-[(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylamino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [(2R)-3-[2-[(4-azido-2-hydroxy-3-iodanyl-benzoyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2R)-3-[2-[[(4-azido-2-hydroxy-3-iodanylphenyl)-oxomethyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-3-[2-[(4-azido-2-hydroxy-3-iodanylbenzoyl)amino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [(2R)-3-[2-[(4-azido-2-hydroxy-3-iodanyl-benzoyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C48H84IN4O10P MolecularWeight: 1033.079745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])I)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])[125I])O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H84IN4O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(54)60-39-41(63-45(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-62-64(58,59)61-38-37-51-48(57)42-35-36-43(52-53-50)46(49)47(42)56/h35-36,41,56H,3-34,37-40H2,1-2H3,(H,51,57)(H,58,59)/t41-/m1/s1/i49-2