2-[[2-(3,5-dinitrophenyl)-5,5-dimethyl-2-oxidanyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(3,5-dinitrophenyl)-5,5-dimethyl-2-oxidanyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethyl-azanium Openeye Name: 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethyl-ammonium CAS Name: 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethylammonium IUPAC Name: 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethylazanium Traditional Name: 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethyl-ammonium Formula: C22H28N3O8+ MolecularWeight: 462.47302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(O1)(C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)(C3=CC=CC=C3)OCC[N+](C)(C)C)C

Isomeric SMILES

CC1(C(OC(O1)(C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)(C3=CC=CC=C3)OCC[N+](C)(C)C)C

InChI

InChI=1S/C22H28N3O8/c1-20(2)21(16-9-7-6-8-10-16,31-12-11-25(3,4)5)33-22(26,32-20)17-13-18(23(27)28)15-19(14-17)24(29)30/h6-10,13-15,26H,11-12H2,1-5H3/q+1