trimethyl-(2-oxidanyl-3-oxidanylidene-1-phosphono-2-tetradecanoyl-hexadecyl)azanium

Systemtic Name: trimethyl-(2-oxidanyl-3-oxidanylidene-1-phosphono-2-tetradecanoyl-hexadecyl)azanium Openeye Name: (2-hydroxy-3-oxo-1-phosphono-2-tetradecanoyl-hexadecyl)-trimethyl-ammonium CAS Name: [2-hydroxy-3-oxo-2-(1-oxotetradecyl)-1-phosphonohexadecyl]-trimethylammonium IUPAC Name: (2-hydroxy-3-oxo-1-phosphono-2-tetradecanoylhexadecyl)-trimethylazanium Traditional Name: (2-hydroxy-3-keto-1-phosphono-2-tetradecanoyl-hexadecyl)-trimethyl-ammonium Formula: C33H67NO6P+ MolecularWeight: 604.861941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C([N+](C)(C)C)P(=O)(O)O)(C(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C([N+](C)(C)C)P(=O)(O)O)(C(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C33H66NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30(35)33(37,32(34(3,4)5)41(38,39)40)31(36)29-27-25-23-21-19-17-15-13-11-9-7-2/h32,37H,6-29H2,1-5H3,(H-,38,39,40)/p+1