[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate CAS Name: tricosa-10,12-diynoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxotricosa-10,12-diynoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxypropyl] tricosa-10,12-diynoate Traditional Name: tricosa-10,12-diynoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] ester Formula: C51H86NO8P MolecularWeight: 872.204201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

InChI

InChI=1S/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49H,3-20,29-48,52H2,1-2H3,(H,55,56)