4-[3-methyl-4-[[5-methyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]methyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3-methyl-4-[[5-methyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]methyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-methyl-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-methyl-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[3-methyl-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[[5-keto-3-methyl-1-(4-sulfophenyl)-3-pyrazolin-4-yl]methyl]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C21H20N4O8S2 MolecularWeight: 520.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H20N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-10,18,23H,11H2,1-2H3,(H,28,29,30)(H,31,32,33)