3,3-dinitro-6-[2,2,2-tris(fluoranyl)ethyl]cyclohexa-1,4-diene

Systemtic Name: 3,3-dinitro-6-[2,2,2-tris(fluoranyl)ethyl]cyclohexa-1,4-diene Openeye Name: 3,3-dinitro-6-(2,2,2-trifluoroethyl)cyclohexa-1,4-diene CAS Name: 3,3-dinitro-6-(2,2,2-trifluoroethyl)cyclohexa-1,4-diene IUPAC Name: 3,3-dinitro-6-(2,2,2-trifluoroethyl)cyclohexa-1,4-diene Traditional Name: 3,3-dinitro-6-(2,2,2-trifluoroethyl)cyclohexa-1,4-diene Formula: C8H7F3N2O4 MolecularWeight: 252.14739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1CC(F)(F)F)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(C=CC1CC(F)(F)F)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H7F3N2O4/c9-8(10,11)5-6-1-3-7(4-2-6,12(14)15)13(16)17/h1-4,6H,5H2