[2-[8-(2-chloranylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide

Systemtic Name: [2-[8-(2-chloranylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[8-(2-chlorophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[8-(2-chlorophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[8-(2-chlorophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[8-(2-chlorophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C21H37ClNO8P MolecularWeight: 497.947141

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC=CC=C1Cl.[OH-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC=CC=C1Cl.[OH-]

InChI

InChI=1S/C21H35ClNO7P.H2O/c1-23(2,3)17-18(16-21(24)25)30-31(26,27)29-15-11-7-5-4-6-10-14-28-20-13-9-8-12-19(20)22;/h8-9,12-13,18H,4-7,10-11,14-17H2,1-3H3,(H-,24,25,26,27);1H2