3,5-dimethyl-1-phenyl-pyrazole-4-sulfonic acid

Systemtic Name: 3,5-dimethyl-1-phenyl-pyrazole-4-sulfonic acid Openeye Name: 3,5-dimethyl-1-phenyl-pyrazole-4-sulfonic acid CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolesulfonic acid IUPAC Name: 3,5-dimethyl-1-phenylpyrazole-4-sulfonic acid Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-sulfonic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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