1-iodanyl-4-[(2-methylpropan-2-yl)oxy]benzene; 4-methylbenzenesulfonate

Systemtic Name: 1-iodanyl-4-[(2-methylpropan-2-yl)oxy]benzene; 4-methylbenzenesulfonate Openeye Name: 1-tert-butoxy-4-iodo-benzene; 4-methylbenzenesulfonate CAS Name: 1-iodo-4-[(2-methylpropan-2-yl)oxy]benzene; 4-methylbenzenesulfonate IUPAC Name: 1-iodo-4-[(2-methylpropan-2-yl)oxy]benzene; 4-methylbenzenesulfonate Traditional Name: 1-tert-butoxy-4-iodo-benzene tosylate Formula: C17H20IO4S- MolecularWeight: 447.30777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)I

InChI

InChI=1S/C10H13IO.C7H8O3S/c1-10(2,3)12-9-6-4-8(11)5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/p-1