biphenylen-2-yliodanium; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: biphenylen-2-yliodanium; 2-(trifluoromethyl)benzenesulfonate Openeye Name: biphenylen-2-yliodonium; 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-biphenylenyliodonium; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: biphenylen-2-yliodanium; 2-(trifluoromethyl)benzenesulfonate Traditional Name: biphenylen-2-yliodonium; 2-(trifluoromethyl)besylate Formula: C19H12F3IO3S MolecularWeight: 504.26146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+].C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+].C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H8I.C7H5F3O3S/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-7,13H;1-4H,(H,11,12,13)/q+1;/p-1