dipotassium 4-chloranyl-3-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: dipotassium 4-chloranyl-3-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: dipotassium 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: dipotassium 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: dipotassium 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: dipotassium 4-chloro-3-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylate Formula: C32H22Cl4K2N8O8S2 MolecularWeight: 930.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl)C3=CC=C(C=C3)Cl.CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl)C3=CC=C(C=C3)Cl.[K+].[K+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl)C3=CC=C(C=C3)Cl.CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl)C3=CC=C(C=C3)Cl.[K+].[K+]

InChI

InChI=1S/2C16H12Cl2N4O4S.2K/c2*1-9-15(16(23)22(21-9)11-4-2-10(17)3-5-11)20-19-14-8-12(27(24,25)26)6-7-13(14)18;;/h2*2-8,15H,1H3,(H,24,25,26);;/q;;2*+1/p-2