sodium (5E)-1-(2-chloranyl-4-oxidanidylperoxysulfanyl-phenyl)-5-[[4-(2-chloroethylsulfonyl)-2-methyl-phenyl]hydrazinylidene]-3-methyl-pyrazol-4-one

Systemtic Name: sodium (5E)-1-(2-chloranyl-4-oxidanidylperoxysulfanyl-phenyl)-5-[[4-(2-chloroethylsulfonyl)-2-methyl-phenyl]hydrazinylidene]-3-methyl-pyrazol-4-one Openeye Name: sodium (5E)-5-[[4-(2-chloroethylsulfonyl)-2-methyl-phenyl]hydrazono]-1-(2-chloro-4-oxidoperoxysulfanyl-phenyl)-3-methyl-pyrazol-4-one CAS Name: sodium 3-chloro-4-[(5E)-5-[[4-(2-chloroethylsulfonyl)-2-methylphenyl]hydrazinylidene]-3-methyl-4-oxo-1-pyrazolyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium (5E)-5-[[4-(2-chloroethylsulfonyl)-2-methylphenyl]hydrazinylidene]-1-(2-chloro-4-oxidoperoxysulfanylphenyl)-3-methylpyrazol-4-one Traditional Name: sodium (5E)-5-[[4-(2-chloroethylsulfonyl)-2-methyl-phenyl]hydrazono]-1-[2-chloro-4-(oxidoperoxythio)phenyl]-3-methyl-2-pyrazolin-4-one Formula: C19H17Cl2N4NaO6S2 MolecularWeight: 555.38725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)CCCl)NN=C2C(=O)C(=NN2C3=C(C=C(C=C3)SOO[O-])Cl)C.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)CCCl)N/N=C/2\C(=O)C(=NN2C3=C(C=C(C=C3)SOO[O-])Cl)C.[Na+]

InChI

InChI=1S/C19H18Cl2N4O6S2.Na/c1-11-9-14(33(28,29)8-7-20)4-5-16(11)22-23-19-18(26)12(2)24-25(19)17-6-3-13(10-15(17)21)32-31-30-27;/h3-6,9-10,22,27H,7-8H2,1-2H3;/q;+1/p-1/b23-19+;