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Search term: C39H78NO14P
Found by empirical formula
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Inherent Properties, Identifiers and References
ChemSpider ID: 321301
Empirical Formula: C39H78NO14P
Molecular Weight: 816.0087
Nominal Mass: 815 Da
Average Mass: 816.0087 Da
Monoisotopic Mass: 815.515992 Da
Systematic Name: [3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ac​etyl]oxy-2-octadecanoyloxy-propyl] 2-trimethylammonioethyl phosph​ate
SMILES: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)COCCO​CCOCCOCCOCCOC Copy
InChI: InChI=1/C39H78NO14P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2​1-38(41)54-37(35-53-55(43,44)52-23-22-40(2,3)4)34-51-39(42)36-50-​33-32-49-31-30-48-29-28-47-27-26-46-25-24-45-5/h37H,6-36H2,1-5H3 Copy
InChIKey: SIMNPAQHYODGCC-UHFFFAOYAP
Std. InChI: InChI=1S/C39H78NO14P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-​21-38(41)54-37(35-53-55(43,44)52-23-22-40(2,3)4)34-51-39(42)36-50​-33-32-49-31-30-48-29-28-47-27-26-46-25-24-45-5/h37H,6-36H2,1-5H3​ Copy
Std. InChIKey: SIMNPAQHYODGCC-UHFFFAOYSA-N
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SimBioSys LASSO