(3-nitro-1-benzofuran-5-yl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (3-nitro-1-benzofuran-5-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (3-nitrobenzofuran-5-yl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (3-nitro-5-benzofuranyl) ester IUPAC Name: (3-nitro-1-benzofuran-5-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (3-nitrobenzofuran-5-yl) ester Formula: C16H7F6NO6S MolecularWeight: 455.285299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=CO2)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=CO2)[N+](=O)[O-]

InChI

InChI=1S/C16H7F6NO6S/c17-15(18,19)8-3-9(16(20,21)22)5-11(4-8)30(26,27)29-10-1-2-14-12(6-10)13(7-28-14)23(24)25/h1-7H