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

Systemtic Name: [2-[4-(3-cyano-5-pentoxy-phenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[4-(3-cyano-5-pentoxy-phenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[4-(3-cyano-5-pentoxyphenoxy)butoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[4-(3-cyano-5-pentoxyphenoxy)butoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(3-amoxy-5-cyano-phenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C23H39N2O9P MolecularWeight: 518.537521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N2O8P.H2O/c1-5-6-7-10-30-20-13-19(17-24)14-21(15-20)31-11-8-9-12-32-34(28,29)33-22(16-23(26)27)18-25(2,3)4;/h13-15,22H,5-12,16,18H2,1-4H3,(H-,26,27,28,29);1H2