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

Systemtic Name: 4-chloranyl-3-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 4-chloro-3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 4-chloro-3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 4-chloro-3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 3-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)-4-chloro-besylic acid Formula: C12H11ClN2O6S MolecularWeight: 346.74354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O6S/c1-2-21-12(17)9-6-11(16)15(14-9)10-5-7(22(18,19)20)3-4-8(10)13/h3-6,14H,2H2,1H3,(H,18,19,20)