4-chloranyl-2,3-dimethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2,3-dimethyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2,3-dimethyl-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2,3-dimethyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2,3-dimethyl-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-5-mesyl-2,3-dimethyl-benzoic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO4S/c1-5-6(2)9(11)8(16(3,14)15)4-7(5)10(12)13/h4H,1-3H3,(H,12,13)