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

Systemtic Name: 4-(3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 4-(5-keto-3-phenyl-3-pyrazolin-1-yl)benzene-1,3-disulfonic acid Formula: C15H12N2O7S2 MolecularWeight: 396.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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