1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene

Systemtic Name: 1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene Openeye Name: 1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene CAS Name: 1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene IUPAC Name: 1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene Traditional Name: 1-nitro-3,5,6-tris(trifluoromethyl)cyclohexa-1,4-diene Formula: C9H4F9NO2 MolecularWeight: 329.119189

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(=CC1C(F)(F)F)[N+](=O)[O-])C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=C(C(C(=CC1C(F)(F)F)[N+](=O)[O-])C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H4F9NO2/c10-7(11,12)3-1-4(8(13,14)15)6(9(16,17)18)5(2-3)19(20)21/h1-3,6H