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

Systemtic Name: trimethyl-[2-[4-(2-methyl-3-pentoxy-phenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium hydroxide Openeye Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxy-phenoxy)butoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxyphenoxy)butoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxyphenoxy)butoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[4-(3-amoxy-2-methyl-phenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C23H42NO9P MolecularWeight: 507.554641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO8P.H2O/c1-6-7-8-14-29-21-12-11-13-22(19(21)2)30-15-9-10-16-31-33(27,28)32-20(17-23(25)26)18-24(3,4)5;/h11-13,20H,6-10,14-18H2,1-5H3,(H-,25,26,27,28);1H2