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

Systemtic Name: 2,5-bis(chloranyl)-4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 2,5-dichloro-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)-2,5-dichloro-besylic acid Formula: C12H10Cl2N2O6S MolecularWeight: 381.1886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Cl2N2O6S/c1-2-22-12(18)8-5-11(17)16(15-8)9-3-7(14)10(4-6(9)13)23(19,20)21/h3-5,15H,2H2,1H3,(H,19,20,21)