2-[2-fluoranyl-5,5-dinitro-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanoic acid

Systemtic Name: 2-[2-fluoranyl-5,5-dinitro-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanoic acid Openeye Name: 2-[2-fluoro-5,5-dinitro-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetic acid CAS Name: 2-[2-fluoro-5,5-dinitro-6-(trifluoromethyl)-1-cyclohexa-1,3-dienyl]acetic acid IUPAC Name: 2-[2-fluoro-5,5-dinitro-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetic acid Traditional Name: 2-[2-fluoro-5,5-dinitro-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetic acid Formula: C9H6F4N2O6 MolecularWeight: 314.147353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C(=C1F)CC(=O)O)C(F)(F)F)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(C(C(=C1F)CC(=O)O)C(F)(F)F)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6F4N2O6/c10-5-1-2-8(14(18)19,15(20)21)7(9(11,12)13)4(5)3-6(16)17/h1-2,7H,3H2,(H,16,17)