4-(4-ethanoyl-5-methyl-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-ethanoyl-5-methyl-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(4-acetyl-5-methyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(4-acetyl-5-methyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(4-acetyl-5-methylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(4-acetyl-5-methyl-pyrazol-1-yl)besylic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-8-12(9(2)15)7-13-14(8)10-3-5-11(6-4-10)19(16,17)18/h3-7H,1-2H3,(H,16,17,18)