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

Systemtic Name: 2,5-bis(chloranyl)-4-(5-methoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 2,5-dichloro-4-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-(5-methoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-(3-carbomethoxy-5-keto-3-pyrazolin-1-yl)-2,5-dichloro-besylic acid Formula: C11H8Cl2N2O6S MolecularWeight: 367.16202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

Isomeric SMILES

COC(=O)C1=CC(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C11H8Cl2N2O6S/c1-21-11(17)7-4-10(16)15(14-7)8-2-6(13)9(3-5(8)12)22(18,19)20/h2-4,14H,1H3,(H,18,19,20)