2,3-di(heptacosa-8,10-diynoyloxy)propyl 2-(methylazaniumyl)ethyl phosphate

Systemtic Name: 2,3-di(heptacosa-8,10-diynoyloxy)propyl 2-(methylazaniumyl)ethyl phosphate Openeye Name: 2,3-di(heptacosa-8,10-diynoyloxy)propyl 2-(methylammonio)ethyl phosphate CAS Name: 2,3-bis(1-oxoheptacosa-8,10-diynoxy)propyl 2-(methylammonio)ethyl phosphate IUPAC Name: 2,3-di(heptacosa-8,10-diynoyloxy)propyl 2-(methylazaniumyl)ethyl phosphate Traditional Name: 2,3-di(heptacosa-8,10-diynoyloxy)propyl 2-(methylammonio)ethyl phosphate Formula: C60H104NO8P MolecularWeight: 998.443421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H104NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61-3)69-60(63)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h58,61H,4-33,42-57H2,1-3H3,(H,64,65)