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

Systemtic Name: trimethyl-[2-[8-(2-nitrophenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[8-(2-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[8-(2-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[8-(2-nitrophenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[hydroxy-[8-(2-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)17-18(16-21(24)25)32-33(28,29)31-15-11-7-5-4-6-10-14-30-20-13-9-8-12-19(20)22(26)27/h8-9,12-13,18H,4-7,10-11,14-17H2,1-3H3,(H-,24,25,28,29)/p+1