2-(2-bromophenyl)-5-[5-(2-chlorophenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid

Systemtic Name: 2-(2-bromophenyl)-5-[5-(2-chlorophenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Openeye Name: 2-(2-bromophenyl)-5-[5-(2-chlorophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid CAS Name: 2-(2-bromophenyl)-5-[5-(2-chlorophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid IUPAC Name: 2-(2-bromophenyl)-5-[5-(2-chlorophenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,3-disulfonic acid Traditional Name: 2-(2-bromophenyl)-5-[3-(2-chlorophenyl)-5-keto-3-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C21H14BrClN2O7S2 MolecularWeight: 585.83206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=O)N(N2)C3=CC(=C(C(=C3)S(=O)(=O)O)C4=CC=CC=C4Br)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=O)N(N2)C3=CC(=C(C(=C3)S(=O)(=O)O)C4=CC=CC=C4Br)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H14BrClN2O7S2/c22-15-7-3-1-5-13(15)21-18(33(27,28)29)9-12(10-19(21)34(30,31)32)25-20(26)11-17(24-25)14-6-2-4-8-16(14)23/h1-11,24H,(H,27,28,29)(H,30,31,32)