6-cyano-3-iodanyl-2-methyl-benzenesulfonic acid

Systemtic Name: 6-cyano-3-iodanyl-2-methyl-benzenesulfonic acid Openeye Name: 6-cyano-3-iodo-2-methyl-benzenesulfonic acid CAS Name: 6-cyano-3-iodo-2-methylbenzenesulfonic acid IUPAC Name: 6-cyano-3-iodo-2-methylbenzenesulfonic acid Traditional Name: 6-cyano-3-iodo-2-methyl-besylic acid Formula: C8H6INO3S MolecularWeight: 323.10761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)C#N)I

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)C#N)I

InChI

InChI=1S/C8H6INO3S/c1-5-7(9)3-2-6(4-10)8(5)14(11,12)13/h2-3H,1H3,(H,11,12,13)