3-iodanyl-4-methyl-benzenesulfonate

Systemtic Name: 3-iodanyl-4-methyl-benzenesulfonate Openeye Name: 3-iodo-4-methyl-benzenesulfonate CAS Name: 3-iodo-4-methylbenzenesulfonate IUPAC Name: 3-iodo-4-methylbenzenesulfonate Traditional Name: 3-iodo-4-methyl-besylate Formula: C7H6IO3S- MolecularWeight: 297.09021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7IO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)/p-1