[2-[4-(4-butoxyphenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide

Systemtic Name: [2-[4-(4-butoxyphenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[4-(4-butoxyphenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[4-(4-butoxyphenoxy)butoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[4-(4-butoxyphenoxy)butoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(4-butoxyphenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C21H38NO9P MolecularWeight: 479.501481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C.[OH-]

InChI

InChI=1S/C21H36NO8P.H2O/c1-5-6-13-27-18-9-11-19(12-10-18)28-14-7-8-15-29-31(25,26)30-20(16-21(23)24)17-22(2,3)4;/h9-12,20H,5-8,13-17H2,1-4H3,(H-,23,24,25,26);1H2