4-(4-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid; sulfuric acid

Systemtic Name: 4-(4-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid; sulfuric acid Openeye Name: 4-(4-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzoic acid; sulfuric acid CAS Name: 4-(4-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzoic acid; sulfuric acid IUPAC Name: 4-(4-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzoic acid; sulfuric acid Traditional Name: 4-(4-carbethoxy-5-keto-3-pyrazolin-1-yl)benzoic acid; sulfuric acid Formula: C13H14N2O9S MolecularWeight: 374.32326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=O)C2=CC=C(C=C2)C(=O)O.OS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CNN(C1=O)C2=CC=C(C=C2)C(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C13H12N2O5.H2O4S/c1-2-20-13(19)10-7-14-15(11(10)16)9-5-3-8(4-6-9)12(17)18;1-5(2,3)4/h3-7,14H,2H2,1H3,(H,17,18);(H2,1,2,3,4)