3-chloranyl-2-methyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-chloranyl-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-chloro-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-chloro-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-chloro-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-chloro-4-mesyl-2-methyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1Cl)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C9H9ClO4S/c1-5-6(9(11)12)3-4-7(8(5)10)15(2,13)14/h3-4H,1-2H3,(H,11,12)