[2-[8-(3-chloranylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[8-(3-chloranylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[8-(3-chlorophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[8-(3-chlorophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[8-(3-chlorophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[8-(3-chlorophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H36ClNO7P+ MolecularWeight: 480.939801

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC(=CC=C1)Cl

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC(=CC=C1)Cl

InChI

InChI=1S/C21H35ClNO7P/c1-23(2,3)17-20(16-21(24)25)30-31(26,27)29-14-9-7-5-4-6-8-13-28-19-12-10-11-18(22)15-19/h10-12,15,20H,4-9,13-14,16-17H2,1-3H3,(H-,24,25,26,27)/p+1