4-(5-methyl-1-oxidanidyl-3,4-dihydropyrazol-1-ium-2-yl)benzenesulfonic acid

Systemtic Name: 4-(5-methyl-1-oxidanidyl-3,4-dihydropyrazol-1-ium-2-yl)benzenesulfonic acid Openeye Name: 4-(5-methyl-1-oxido-3,4-dihydropyrazol-1-ium-2-yl)benzenesulfonic acid CAS Name: 4-(5-methyl-1-oxido-3,4-dihydropyrazol-1-ium-2-yl)benzenesulfonic acid IUPAC Name: 4-(5-methyl-1-oxido-3,4-dihydropyrazol-1-ium-2-yl)benzenesulfonic acid Traditional Name: 4-(3-methyl-2-oxido-2-pyrazolin-2-ium-1-yl)besylic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(CC1)C2=CC=C(C=C2)S(=O)(=O)O)[O-]

Isomeric SMILES

CC1=[N+](N(CC1)C2=CC=C(C=C2)S(=O)(=O)O)[O-]

InChI

InChI=1S/C10H12N2O4S/c1-8-6-7-11(12(8)13)9-2-4-10(5-3-9)17(14,15)16/h2-5H,6-7H2,1H3,(H,14,15,16)