disodium; copper; (4Z)-4-[[5-(2-hydroxyethylperoxysulfanyl)-2-oxidanyl-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium; copper; (4Z)-4-[[5-(2-hydroxyethylperoxysulfanyl)-2-oxidanyl-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium; copper; (4Z)-4-[[2-hydroxy-5-(2-hydroxyethylperoxysulfanyl)phenyl]hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: disodium; copper; (4Z)-4-[[2-hydroxy-5-(2-hydroxyethyldioxythio)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium; copper; (4Z)-4-[[2-hydroxy-5-(2-hydroxyethylperoxysulfanyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: disodium; copper; (4Z)-4-[[2-hydroxy-5-(2-hydroxyethylperoxythio)phenyl]hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C18H14CuN2Na2O11S3 MolecularWeight: 640.0311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOCCO)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])O.[Na+].[Na+].[Cu]

Isomeric SMILES

C1=CC(=C(C=C1SOOCCO)N/N=C\2/C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])O.[Na+].[Na+].[Cu]

InChI

InChI=1S/C18H16N2O11S3.Cu.2Na/c21-5-6-30-31-32-11-1-4-15(22)14(9-11)19-20-17-13-3-2-12(33(24,25)26)7-10(13)8-16(18(17)23)34(27,28)29;;;/h1-4,7-9,19,21-22H,5-6H2,(H,24,25,26)(H,27,28,29);;;/q;;2*+1/p-2/b20-17-;;;