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

Systemtic Name: 4-chloranyl-3-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid CAS Name: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonic acid IUPAC Name: 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-chloro-3-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylic acid Formula: C16H12Cl2N4O4S MolecularWeight: 427.26188

Click to see the large picture

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

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12Cl2N4O4S/c1-9-15(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/h2-8,15H,1H3,(H,24,25,26)