disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-7-oxidanidylperoxysulfanyl-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-7-oxidanidylperoxysulfanyl-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazono]-5-(methoxymethyleneamino)-7-oxidoperoxysulfanyl-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-7-(oxidodioxythio)-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-7-oxidoperoxysulfanyl-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3E)-3-[[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]hydrazono]-4-keto-5-(methoxymethyleneamino)-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C21H18ClN3Na2O11S3 MolecularWeight: 666.00866

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Descriptors Computed from Structure

Canonical SMILES:

COC=NC1=C2C(=CC(=C1)SOO[O-])C=C(C(=NNC3=C(C=C(C=C3)S(=O)(=O)CCCl)OC)C2=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC=NC1=C2C(=CC(=C1)SOO[O-])C=C(/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)CCCl)OC)/C2=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H20ClN3O11S3.2Na/c1-33-11-23-16-9-13(37-36-35-27)7-12-8-18(39(30,31)32)20(21(26)19(12)16)25-24-15-4-3-14(10-17(15)34-2)38(28,29)6-5-22;;/h3-4,7-11,24,27H,5-6H2,1-2H3,(H,30,31,32);;/q;2*+1/p-2/b23-11?,25-20-;;