5-(3-oxidanylidene-5-phenyl-pyrazol-4-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(3-oxidanylidene-5-phenyl-pyrazol-4-yl)benzene-1,3-disulfonic acid Openeye Name: 5-(3-oxo-5-phenyl-pyrazol-4-yl)benzene-1,3-disulfonic acid CAS Name: 5-(3-oxo-5-phenyl-4-pyrazolyl)benzene-1,3-disulfonic acid IUPAC Name: 5-(3-oxo-5-phenylpyrazol-4-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(3-keto-5-phenyl-pyrazol-4-yl)benzene-1,3-disulfonic acid Formula: C15H10N2O7S2 MolecularWeight: 394.3791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O7S2/c18-15-13(14(16-17-15)9-4-2-1-3-5-9)10-6-11(25(19,20)21)8-12(7-10)26(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)