2-chloranyl-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[(2-methyl-3-pyrazolyl)oxymethyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-[(2-methylpyrazol-3-yl)oxymethyl]-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-[(2-methylpyrazol-3-yl)oxymethyl]benzoic acid Formula: C13H13ClN2O5S MolecularWeight: 344.77072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)OCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1C(=CC=N1)OCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H13ClN2O5S/c1-16-11(5-6-15-16)21-7-9-10(22(2,19)20)4-3-8(12(9)14)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)