4-chloranyl-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-5-mesyl-2-methyl-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)Cl

InChI

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