4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)besylic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C11H12N2O3S/c1-8-7-9(2)13(12-8)10-3-5-11(6-4-10)17(14,15)16/h3-7H,1-2H3,(H,14,15,16)