2-nitro-4,6-bis(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 2-nitro-4,6-bis(trifluoromethyl)benzenesulfonic acid Openeye Name: 2-nitro-4,6-bis(trifluoromethyl)benzenesulfonic acid CAS Name: 2-nitro-4,6-bis(trifluoromethyl)benzenesulfonic acid IUPAC Name: 2-nitro-4,6-bis(trifluoromethyl)benzenesulfonic acid Traditional Name: 2-nitro-4,6-bis(trifluoromethyl)besylic acid Formula: C8H3F6NO5S MolecularWeight: 339.168539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H3F6NO5S/c9-7(10,11)3-1-4(8(12,13)14)6(21(18,19)20)5(2-3)15(16)17/h1-2H,(H,18,19,20)