2,5-bis(chloranyl)-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2,5-dichloro-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2,5-dichloro-3-[(1-methyl-4-pyrazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2,5-dichloro-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2,5-dichloro-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Formula: C12H10Cl2N2O4S MolecularWeight: 349.1898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C=N1)CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C12H10Cl2N2O4S/c1-16-5-7(4-15-16)6-21(19,20)10-3-8(13)2-9(11(10)14)12(17)18/h2-5H,6H2,1H3,(H,17,18)