(4R)-3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-sulfonate

Systemtic Name: (4R)-3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-sulfonate Openeye Name: (4R)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazole-4-sulfonate CAS Name: (4R)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazole-4-sulfonate IUPAC Name: (4R)-3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazole-4-sulfonate Traditional Name: (4R)-3-carbethoxy-5-keto-1-phenyl-2-pyrazoline-4-sulfonate Formula: C12H11N2O6S- MolecularWeight: 311.29054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1S(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)[C@@H]1S(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O6S/c1-2-20-12(16)9-10(21(17,18)19)11(15)14(13-9)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,17,18,19)/p-1/t10-/m1/s1