trimethyl-[(2S)-2-(6-nitrooxyhexanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2S)-2-(6-nitrooxyhexanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2S)-4-hydroxy-2-(6-nitrooxyhexanoyloxy)-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2S)-4-hydroxy-2-(6-nitrooxy-1-oxohexoxy)-4-oxobutyl]-trimethylammonium IUPAC Name: [(2S)-4-hydroxy-2-(6-nitrooxyhexanoyloxy)-4-oxobutyl]-trimethylazanium Traditional Name: [(2S)-4-hydroxy-4-keto-2-(6-nitrooxyhexanoyloxy)butyl]-trimethyl-ammonium Formula: C13H25N2O7+ MolecularWeight: 321.3468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCO[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCO[N+](=O)[O-]

InChI

InChI=1S/C13H24N2O7/c1-15(2,3)10-11(9-12(16)17)22-13(18)7-5-4-6-8-21-14(19)20/h11H,4-10H2,1-3H3/p+1/t11-/m0/s1