2-ethanoyl-6-(3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid

Systemtic Name: 2-ethanoyl-6-(3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid Openeye Name: 2-acetyl-6-(3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid CAS Name: 2-acetyl-6-(3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid IUPAC Name: 2-acetyl-6-(3-oxo-1H-pyrazol-2-yl)benzene-1,4-disulfonic acid Traditional Name: 2-acetyl-6-(5-keto-3-pyrazolin-1-yl)benzene-1,4-disulfonic acid Formula: C11H10N2O8S2 MolecularWeight: 362.3357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1S(=O)(=O)O)N2C(=O)C=CN2)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1S(=O)(=O)O)N2C(=O)C=CN2)S(=O)(=O)O

InChI

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