1-tert-butyl-4-iodanyl-benzene; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: 1-tert-butyl-4-iodanyl-benzene; 4-(trifluoromethyl)benzenesulfonate Openeye Name: 1-tert-butyl-4-iodo-benzene; 4-(trifluoromethyl)benzenesulfonate CAS Name: 1-tert-butyl-4-iodobenzene; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: 1-tert-butyl-4-iodobenzene; 4-(trifluoromethyl)benzenesulfonate Traditional Name: 1-tert-butyl-4-iodo-benzene; 4-(trifluoromethyl)besylate Formula: C17H17F3IO3S- MolecularWeight: 485.27976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)I.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)I.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13I.C7H5F3O3S/c1-10(2,3)8-4-6-9(11)7-5-8;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h4-7H,1-3H3;1-4H,(H,11,12,13)/p-1