2-chloranyl-4-methylsulfonyl-3-pyrazol-1-yl-benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-pyrazol-1-yl-benzoic acid Openeye Name: 2-chloro-4-methylsulfonyl-3-pyrazol-1-yl-benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-(1-pyrazolyl)benzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-pyrazol-1-ylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-pyrazol-1-yl-benzoic acid Formula: C11H9ClN2O4S MolecularWeight: 300.71816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)N2C=CC=N2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)N2C=CC=N2

InChI

InChI=1S/C11H9ClN2O4S/c1-19(17,18)8-4-3-7(11(15)16)9(12)10(8)14-6-2-5-13-14/h2-6H,1H3,(H,15,16)