3-nitro-4-(trifluoromethyl)phthalic acid

Systemtic Name: 3-nitro-4-(trifluoromethyl)phthalic acid Openeye Name: 3-nitro-4-(trifluoromethyl)phthalic acid CAS Name: 3-nitro-4-(trifluoromethyl)phthalic acid IUPAC Name: 3-nitro-4-(trifluoromethyl)phthalic acid Traditional Name: 3-nitro-4-(trifluoromethyl)phthalic acid Formula: C9H4F3NO6 MolecularWeight: 279.12637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H4F3NO6/c10-9(11,12)4-2-1-3(7(14)15)5(8(16)17)6(4)13(18)19/h1-2H,(H,14,15)(H,16,17)