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

Systemtic Name: [2-[4-(3-hexoxyphenoxy)butoxy-oxidanyl-phosphinothioyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[4-(3-hexoxyphenoxy)butoxy-hydroxy-phosphinothioyl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[4-(3-hexoxyphenoxy)butoxy-hydroxyphosphinothioyl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[4-(3-hexoxyphenoxy)butoxy-hydroxyphosphinothioyl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(3-hexoxyphenoxy)butoxy-hydroxy-thiophosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C23H42NO8PS MolecularWeight: 523.620241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC=C1)OCCCCOP(=S)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCCCOC1=CC(=CC=C1)OCCCCOP(=S)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

InChI

InChI=1S/C23H40NO7PS.H2O/c1-5-6-7-8-14-28-20-12-11-13-21(17-20)29-15-9-10-16-30-32(27,33)31-22(18-23(25)26)19-24(2,3)4;/h11-13,17,22H,5-10,14-16,18-19H2,1-4H3,(H-,25,26,27,33);1H2