trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[(E)-tetradec-11-enoxy]phosphoryl]oxy-butyl]azanium hydroxide

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[(E)-tetradec-11-enoxy]phosphoryl]oxy-butyl]azanium hydroxide Openeye Name: [4-hydroxy-2-[hydroxy-[(E)-tetradec-11-enoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [4-hydroxy-2-[hydroxy-[(E)-tetradec-11-enoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [4-hydroxy-2-[hydroxy-[(E)-tetradec-11-enoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [4-hydroxy-2-[hydroxy-[(E)-tetradec-11-enoxy]phosphoryl]oxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C21H44NO7P MolecularWeight: 453.550321

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCCCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

Isomeric SMILES

CC/C=C/CCCCCCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

InChI

InChI=1S/C21H42NO6P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-29(25,26)28-20(18-21(23)24)19-22(2,3)4;/h6-7,20H,5,8-19H2,1-4H3,(H-,23,24,25,26);1H2/b7-6+;