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

Systemtic Name: 3-(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 3-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(3-carbethoxy-5-keto-2-pyrazolin-1-yl)besylic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-4-3-5-9(6-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)