2,5-bis(chloranyl)-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid dihydrate

Systemtic Name: 2,5-bis(chloranyl)-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid dihydrate Openeye Name: 2,5-dichloro-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid dihydrate CAS Name: 2,5-dichloro-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid dihydrate IUPAC Name: 2,5-dichloro-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid dihydrate Traditional Name: 2,5-dichloro-4-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid dihydrate Formula: C10H12Cl2N2O6S MolecularWeight: 359.18308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl.O.O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl.O.O

InChI

InChI=1S/C10H8Cl2N2O4S.2H2O/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18;;/h2-4,13H,1H3,(H,16,17,18);2*1H2