[2-[7-(4-chloranylphenoxy)heptoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide

Systemtic Name: [2-[7-(4-chloranylphenoxy)heptoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[7-(4-chlorophenoxy)heptoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[7-(4-chlorophenoxy)heptoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[7-(4-chlorophenoxy)heptoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[7-(4-chlorophenoxy)heptoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C20H35ClNO8P MolecularWeight: 483.920561

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCOC1=CC=C(C=C1)Cl.[OH-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCOC1=CC=C(C=C1)Cl.[OH-]

InChI

InChI=1S/C20H33ClNO7P.H2O/c1-22(2,3)16-19(15-20(23)24)29-30(25,26)28-14-8-6-4-5-7-13-27-18-11-9-17(21)10-12-18;/h9-12,19H,4-8,13-16H2,1-3H3,(H-,23,24,25,26);1H2