2-[[(2S)-2,3-di(tricosa-10,12-diynoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2,3-di(tricosa-10,12-diynoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2,3-di(tricosa-10,12-diynoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-2,3-bis(1-oxotricosa-10,12-diynoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2,3-di(tricosa-10,12-diynoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2,3-di(tricosa-10,12-diynoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C54H93NO8P+ MolecularWeight: 915.291881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

InChI

InChI=1S/C54H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h52H,6-23,32-51H2,1-5H3/p+1/t52-/m0/s1