[18,20-bis(oxidanylidene)-19-[(trimethylazaniumyl)methyl]heptatriacontan-19-yl] phosphate

Systemtic Name: [18,20-bis(oxidanylidene)-19-[(trimethylazaniumyl)methyl]heptatriacontan-19-yl] phosphate Openeye Name: [1-octadecanoyl-2-oxo-1-[(trimethylammonio)methyl]nonadecyl] phosphate CAS Name: [18,20-dioxo-19-[(trimethylammonio)methyl]heptatriacontan-19-yl] phosphate IUPAC Name: [18,20-dioxo-19-[(trimethylazaniumyl)methyl]heptatriacontan-19-yl] phosphate Traditional Name: [2-keto-1-stearoyl-1-[(trimethylammonio)methyl]nonadecyl] phosphate Formula: C41H81NO6P- MolecularWeight: 715.058701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCCCC)OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCCCC)OP(=O)([O-])[O-]

InChI

InChI=1S/C41H82NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(43)41(38-42(3,4)5,48-49(45,46)47)40(44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-38H2,1-5H3,(H-,45,46,47)/p-1