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

Systemtic Name: trisodium; copper; (4Z)-4-[[5-(2-oxidanidylperoxysulfinylethylperoxysulfanyl)-2-oxidanyl-phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-oxidoperoxysulfinylethylperoxysulfanyl)phenyl]hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-oxidodioxysulfinylethyldioxythio)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-oxidoperoxysulfinylethylperoxysulfanyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-oxidoperoxysulfinylethylperoxythio)phenyl]hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C18H13CuN2Na3O14S4 MolecularWeight: 742.07613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOCCS(=O)OO[O-])NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Cu]

Isomeric SMILES

C1=CC(=C(C=C1SOOCCS(=O)OO[O-])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+].[Na+].[Cu]

InChI

InChI=1S/C18H16N2O14S4.Cu.3Na/c21-15-4-1-11(35-33-31-5-6-36(24)34-32-23)9-14(15)19-20-17-13-3-2-12(37(25,26)27)7-10(13)8-16(18(17)22)38(28,29)30;;;;/h1-4,7-9,19,21,23H,5-6H2,(H,25,26,27)(H,28,29,30);;;;/q;;3*+1/p-3/b20-17-;;;;