sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole

Systemtic Name: sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Openeye Name: sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole CAS Name: sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole IUPAC Name: sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Traditional Name: sodium 4-nitro-2,6-bis(trifluoromethyl)-1H-benzimidazole Formula: C9H3F6N3NaO2+ MolecularWeight: 322.119209

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C9H3F6N3O2.Na/c10-8(11,12)3-1-4-6(5(2-3)18(19)20)17-7(16-4)9(13,14)15;/h1-2H,(H,16,17);/q;+1