trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-butyl]azanium hydroxide

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-butyl]azanium hydroxide Openeye Name: [4-hydroxy-2-[hydroxy-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [4-hydroxy-2-[hydroxy-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [4-hydroxy-2-[hydroxy-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(3-amoxyphenoxy)butoxy-hydroxy-thiophosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C22H40NO8PS MolecularWeight: 509.593661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC=C1)OCCCCOP(=S)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCCOC1=CC(=CC=C1)OCCCCOP(=S)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

InChI

InChI=1S/C22H38NO7PS.H2O/c1-5-6-7-13-27-19-11-10-12-20(16-19)28-14-8-9-15-29-31(26,32)30-21(17-22(24)25)18-23(2,3)4;/h10-12,16,21H,5-9,13-15,17-18H2,1-4H3,(H-,24,25,26,32);1H2