trimethyl-(2-octadecanoyl-2-oxidanyl-3-oxidanylidene-1-phosphono-icosyl)azanium

Systemtic Name: trimethyl-(2-octadecanoyl-2-oxidanyl-3-oxidanylidene-1-phosphono-icosyl)azanium Openeye Name: (2-hydroxy-2-octadecanoyl-3-oxo-1-phosphono-icosyl)-trimethyl-ammonium CAS Name: [2-hydroxy-3-oxo-2-(1-oxooctadecyl)-1-phosphonoeicosyl]-trimethylammonium IUPAC Name: (2-hydroxy-2-octadecanoyl-3-oxo-1-phosphonoicosyl)-trimethylazanium Traditional Name: (2-hydroxy-3-keto-1-phosphono-2-stearoyl-eicosyl)-trimethyl-ammonium Formula: C41H83NO6P+ MolecularWeight: 717.074581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C([N+](C)(C)C)P(=O)(O)O)(C(=O)CCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C([N+](C)(C)C)P(=O)(O)O)(C(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H82NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(43)41(45,40(42(3,4)5)49(46,47)48)39(44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40,45H,6-37H2,1-5H3,(H-,46,47,48)/p+1