5-chloranylsulfonyl-2-iodanyl-3-methyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-iodanyl-3-methyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-iodo-3-methyl-benzoic acid CAS Name: 5-chlorosulfonyl-2-iodo-3-methylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2-iodo-3-methylbenzoic acid Traditional Name: 5-chlorosulfonyl-2-iodo-3-methyl-benzoic acid Formula: C8H6ClIO4S MolecularWeight: 360.55331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClIO4S/c1-4-2-5(15(9,13)14)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)