5-methyl-1-phenyl-pyrazole-4-sulfonic acid

Systemtic Name: 5-methyl-1-phenyl-pyrazole-4-sulfonic acid Openeye Name: 5-methyl-1-phenyl-pyrazole-4-sulfonic acid CAS Name: 5-methyl-1-phenyl-4-pyrazolesulfonic acid IUPAC Name: 5-methyl-1-phenylpyrazole-4-sulfonic acid Traditional Name: 5-methyl-1-phenyl-pyrazole-4-sulfonic acid Formula: C10H10N2O3S MolecularWeight: 238.263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O3S/c1-8-10(16(13,14)15)7-11-12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)