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

Systemtic Name: trimethyl-[2-[8-(3-nitrophenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[8-(3-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[8-(3-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[8-(3-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[hydroxy-[8-(3-nitrophenoxy)octoxy]phosphoryl]oxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H36N2O9P+ MolecularWeight: 491.492301

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O9P/c1-23(2,3)17-20(16-21(24)25)32-33(28,29)31-14-9-7-5-4-6-8-13-30-19-12-10-11-18(15-19)22(26)27/h10-12,15,20H,4-9,13-14,16-17H2,1-3H3,(H-,24,25,28,29)/p+1