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

Systemtic Name: 5-(3-oxidanylidene-5-pyridin-4-yl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 5-[3-oxo-5-(4-pyridyl)-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: 5-(3-oxo-5-pyridin-4-yl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-(3-oxo-5-pyridin-4-yl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 5-[5-keto-3-(4-pyridyl)-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C14H11N3O7S2 MolecularWeight: 397.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC(=O)N(N2)C3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=CC(=O)N(N2)C3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O7S2/c18-14-8-13(9-1-3-15-4-2-9)16-17(14)10-5-11(25(19,20)21)7-12(6-10)26(22,23)24/h1-8,16H,(H,19,20,21)(H,22,23,24)