[3-[2-[[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-6-oxidanylidene-hexyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[2-[[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]-6-oxidanylidene-hexyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[2-[[6-(2,5-dioxopyrrol-1-yl)-6-oxo-hexyl]amino]ethoxy-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[2-[[6-(2,5-dioxo-1-pyrrolyl)-6-oxohexyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-[[6-(2,5-dioxopyrrol-1-yl)-6-oxohexyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[hydroxy-[2-[(6-keto-6-maleimido-hexyl)amino]ethoxy]phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C51H93N2O11P MolecularWeight: 941.264681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCC(=O)N1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCC(=O)N1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H93N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-50(57)61-44-46(64-51(58)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-63-65(59,60)62-43-42-52-41-35-31-32-36-47(54)53-48(55)39-40-49(53)56/h39-40,46,52H,3-38,41-45H2,1-2H3,(H,59,60)