[2-heptacosa-8,10-diynoyloxy-3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-propyl] heptacosa-8,10-diynoate

Systemtic Name: [2-heptacosa-8,10-diynoyloxy-3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-propyl] heptacosa-8,10-diynoate Openeye Name: [2-heptacosa-8,10-diynoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-propyl] heptacosa-8,10-diynoate CAS Name: heptacosa-8,10-diynoic acid [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-(1-oxoheptacosa-8,10-diynoxy)propyl] ester IUPAC Name: [2-heptacosa-8,10-diynoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] heptacosa-8,10-diynoate Traditional Name: heptacosa-8,10-diynoic acid [2-heptacosa-8,10-diynoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-propyl] ester Formula: C60H104NO8P MolecularWeight: 998.443421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H104NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61-3)69-60(63)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h58,61H,4-33,42-57H2,1-3H3,(H,64,65)