3-chloranyl-5-[[2-(2-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-chloranyl-5-[[2-(2-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-chloro-5-[[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-chloro-5-[[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-chloro-5-[[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-chloro-5-[[1-(2-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-6-keto-cyclohexa-1,3-diene-1-sulfonic acid Formula: C16H12Cl2N4O5S MolecularWeight: 443.26128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H12Cl2N4O5S/c1-8-14(16(24)22(21-8)12-5-3-2-4-10(12)18)20-19-11-6-9(17)7-13(15(11)23)28(25,26)27/h2-7,20-21H,1H3,(H,25,26,27)