[3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[2-[bis(1H-imidazol-5-ylmethyl)amino]ethoxy-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C49H90N5O8P MolecularWeight: 908.241361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(CC1=CN=CN1)CC2=CN=CN2)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(CC1=CN=CN1)CC2=CN=CN2)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H90N5O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(55)59-41-47(62-49(56)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-61-63(57,58)60-36-35-54(39-45-37-50-43-52-45)40-46-38-51-44-53-46/h37-38,43-44,47H,3-36,39-42H2,1-2H3,(H,50,52)(H,51,53)(H,57,58)