2,3-di(pentacosa-10,12-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2,3-di(pentacosa-10,12-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2,3-di(pentacosa-10,12-diynoyloxy)propyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2,3-bis(1-oxopentacosa-10,12-diynoxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2,3-di(pentacosa-10,12-diynoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2,3-di(pentacosa-10,12-diynoyloxy)propyl 2-(trimethylammonio)ethyl phosphate Formula: C58H100NO8P MolecularWeight: 970.390261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h56H,6-27,36-55H2,1-5H3