trimethyl-[2-[4-(3-methyl-5-pentoxy-phenoxy)butoxy-oxidanyl-phosphinothioyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium hydroxide

Systemtic Name: trimethyl-[2-[4-(3-methyl-5-pentoxy-phenoxy)butoxy-oxidanyl-phosphinothioyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium hydroxide Openeye Name: [4-hydroxy-2-[hydroxy-[4-(3-methyl-5-pentoxy-phenoxy)butoxy]phosphinothioyl]oxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [4-hydroxy-2-[hydroxy-[4-(3-methyl-5-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [4-hydroxy-2-[hydroxy-[4-(3-methyl-5-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(3-amoxy-5-methyl-phenoxy)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO7PS.H2O/c1-6-7-8-11-28-20-14-19(2)15-21(16-20)29-12-9-10-13-30-32(27,33)31-22(17-23(25)26)18-24(3,4)5;/h14-16,22H,6-13,17-18H2,1-5H3,(H-,25,26,27,33);1H2