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

Systemtic Name: 2-(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)-5-methyl-benzenesulfonic acid Openeye Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)-5-methyl-benzenesulfonic acid CAS Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)-5-methylbenzenesulfonic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)-5-methylbenzenesulfonic acid Traditional Name: 2-(3-carbethoxy-5-keto-2-pyrazolin-1-yl)-5-methyl-besylic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1)C2=C(C=C(C=C2)C)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1)C2=C(C=C(C=C2)C)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O6S/c1-3-21-13(17)9-7-12(16)15(14-9)10-5-4-8(2)6-11(10)22(18,19)20/h4-6H,3,7H2,1-2H3,(H,18,19,20)