1-tert-butyl-4-iodanyl-benzene; 4-fluoranylbenzenesulfonate

Systemtic Name: 1-tert-butyl-4-iodanyl-benzene; 4-fluoranylbenzenesulfonate Openeye Name: 1-tert-butyl-4-iodo-benzene; 4-fluorobenzenesulfonate CAS Name: 1-tert-butyl-4-iodobenzene; 4-fluorobenzenesulfonate IUPAC Name: 1-tert-butyl-4-iodobenzene; 4-fluorobenzenesulfonate Traditional Name: 1-tert-butyl-4-iodo-benzene; 4-fluorobesylate Formula: C16H17FIO3S- MolecularWeight: 435.272253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)I.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)I.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13I.C6H5FO3S/c1-10(2,3)8-4-6-9(11)7-5-8;7-5-1-3-6(4-2-5)11(8,9)10/h4-7H,1-3H3;1-4H,(H,8,9,10)/p-1