4-[5-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[5-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[5-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: 4-[5-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[5-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: 4-[5-keto-4-[[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]methyl]-3-methyl-3-pyrazolin-1-yl]besylate Formula: C21H16N4O8S2-2 MolecularWeight: 516.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C

InChI

InChI=1S/C21H18N4O8S2/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/h3-11,22H,1-2H3,(H,28,29,30)(H,31,32,33)/p-2