1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazole-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazole-4-carboxylic acid Openeye Name: 1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazole-4-carboxylic acid CAS Name: 1,3-dimethyl-5-(3-methylsulfonylphenoxy)-4-pyrazolecarboxylic acid IUPAC Name: 1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazole-4-carboxylic acid Traditional Name: 5-(3-mesylphenoxy)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)OC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)OC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(15(2)14-8)20-9-5-4-6-10(7-9)21(3,18)19/h4-7H,1-3H3,(H,16,17)