sodium 2,3-di(hexadecanoyloxy)propyl 2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]ethyl phosphate

Systemtic Name: sodium 2,3-di(hexadecanoyloxy)propyl 2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]ethyl phosphate Openeye Name: sodium 2,3-di(hexadecanoyloxy)propyl 2-[(4-methoxy-4-oxo-butanoyl)amino]ethyl phosphate CAS Name: sodium 2,3-bis(1-oxohexadecoxy)propyl 2-[(4-methoxy-1,4-dioxobutyl)amino]ethyl phosphate IUPAC Name: sodium 2,3-di(hexadecanoyloxy)propyl 2-[(4-methoxy-4-oxobutanoyl)amino]ethyl phosphate Traditional Name: sodium 2,3-di(hexadecanoyloxy)propyl 2-[(4-keto-4-methoxy-butanoyl)amino]ethyl phosphate Formula: C42H79NNaO11P MolecularWeight: 828.040291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCC(=O)OC)OC(=O)CCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCC(=O)OC)OC(=O)CCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C42H80NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(46)51-36-38(37-53-55(48,49)52-35-34-43-39(44)32-33-40(45)50-3)54-42(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h38H,4-37H2,1-3H3,(H,43,44)(H,48,49);/q;+1/p-1