2-iodosyl-3,5-dimethyl-benzenesulfonic acid

Systemtic Name: 2-iodosyl-3,5-dimethyl-benzenesulfonic acid Openeye Name: 2-iodosyl-3,5-dimethyl-benzenesulfonic acid CAS Name: 2-iodosyl-3,5-dimethylbenzenesulfonic acid IUPAC Name: 2-iodosyl-3,5-dimethylbenzenesulfonic acid Traditional Name: 2-iodosyl-3,5-dimethyl-besylic acid Formula: C8H9IO4S MolecularWeight: 328.12413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)I=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)I=O)C

InChI

InChI=1S/C8H9IO4S/c1-5-3-6(2)8(9-10)7(4-5)14(11,12)13/h3-4H,1-2H3,(H,11,12,13)