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

Systemtic Name: 2,5-bis(chloranyl)-4-(3-methyl-5-oxidanylidene-pyrazol-4-yl)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-(3-methyl-5-oxo-pyrazol-4-yl)benzenesulfonic acid CAS Name: 2,5-dichloro-4-(3-methyl-5-oxo-4-pyrazolyl)benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-(3-methyl-5-oxopyrazol-4-yl)benzenesulfonic acid Traditional Name: 2,5-dichloro-4-(3-keto-5-methyl-pyrazol-4-yl)besylic acid Formula: C10H6Cl2N2O4S MolecularWeight: 321.13664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O4S/c1-4-9(10(15)14-13-4)5-2-7(12)8(3-6(5)11)19(16,17)18/h2-3H,1H3,(H,16,17,18)