[3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate

Systemtic Name: [3-[2-(methylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate Openeye Name: [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate CAS Name: octa-3,5-diynoic acid [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-(1-oxoocta-3,5-diynoxy)propyl] ester IUPAC Name: [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octa-3,5-diynoyloxypropyl] octa-3,5-diynoate Traditional Name: octa-3,5-diynoic acid [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] ester Formula: C22H28NO8P MolecularWeight: 465.433381

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC#CCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CC#CC#CCC

Isomeric SMILES

CCC#CC#CCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CC#CC#CCC

InChI

InChI=1S/C22H28NO8P/c1-4-6-8-10-12-14-21(24)28-18-20(19-30-32(26,27)29-17-16-23-3)31-22(25)15-13-11-9-7-5-2/h20,23H,4-5,14-19H2,1-3H3,(H,26,27)