2,3-di(heptacosa-11,13-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2,3-di(heptacosa-11,13-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2,3-di(heptacosa-11,13-diynoyloxy)propyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2,3-bis(1-oxoheptacosa-11,13-diynoxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2,3-di(heptacosa-11,13-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2,3-di(heptacosa-11,13-diynoyloxy)propyl 2-(trimethylammonio)ethyl phosphate Formula: C62H108NO8P MolecularWeight: 1026.496581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h60H,6-29,38-59H2,1-5H3