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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=O)N(N2)C3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=O)N(N2)C3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

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