4-(5-ethanoyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid

Systemtic Name: 4-(5-ethanoyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 4-(5-acetyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 4-(5-acetyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 4-(5-acetyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 4-(3-acetyl-5-keto-3-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=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

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