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

Systemtic Name: 2-[(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]benzenesulfonic acid Openeye Name: 2-[(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)methyl]benzenesulfonic acid CAS Name: 2-[(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)methyl]benzenesulfonic acid IUPAC Name: 2-[(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)methyl]benzenesulfonic acid Traditional Name: 2-[(3-carbethoxy-5-keto-2-pyrazolin-1-yl)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)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C13H14N2O6S/c1-2-21-13(17)10-7-12(16)15(14-10)8-9-5-3-4-6-11(9)22(18,19)20/h3-6H,2,7-8H2,1H3,(H,18,19,20)