5-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(3-ethanoyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,3-disulfonic acid Openeye Name: 5-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-disulfonic acid CAS Name: 5-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-(3-acetyl-5-oxo-4H-pyrazol-1-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(3-acetyl-5-keto-2-pyrazolin-1-yl)benzene-1,3-disulfonic acid Formula: C11H10N2O8S2 MolecularWeight: 362.3357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O8S2/c1-6(14)10-5-11(15)13(12-10)7-2-8(22(16,17)18)4-9(3-7)23(19,20)21/h2-4H,5H2,1H3,(H,16,17,18)(H,19,20,21)