1-iodanyl-3-nitro-benzene; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: 1-iodanyl-3-nitro-benzene; 2-(trifluoromethyl)benzenesulfonate Openeye Name: 1-iodo-3-nitro-benzene; 2-(trifluoromethyl)benzenesulfonate CAS Name: 1-iodo-3-nitrobenzene; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: 1-iodo-3-nitrobenzene; 2-(trifluoromethyl)benzenesulfonate Traditional Name: 1-iodo-3-nitro-benzene; 2-(trifluoromethyl)besylate Formula: C13H8F3INO5S- MolecularWeight: 474.171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-].C1=CC(=CC(=C1)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-].C1=CC(=CC(=C1)I)[N+](=O)[O-]

InChI

InChI=1S/C7H5F3O3S.C6H4INO2/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13;7-5-2-1-3-6(4-5)8(9)10/h1-4H,(H,11,12,13);1-4H/p-1