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

Systemtic Name: 5-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(5-keto-3-phenyl-3-pyrazolin-1-yl)benzene-1,3-disulfonic acid Formula: C15H12N2O7S2 MolecularWeight: 396.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O7S2/c18-15-9-14(10-4-2-1-3-5-10)16-17(15)11-6-12(25(19,20)21)8-13(7-11)26(22,23)24/h1-9,16H,(H,19,20,21)(H,22,23,24)