trisodium; copper; (4Z)-7-oxidanidylperoxysulfanyl-3-oxidanylidene-4-[[2-oxidanyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium; copper; (4Z)-7-oxidanidylperoxysulfanyl-3-oxidanylidene-4-[[2-oxidanyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-7-oxidoperoxysulfanyl-3-oxo-naphthalene-2-sulfonate CAS Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-7-(oxidodioxythio)-3-oxo-2-naphthalenesulfonate IUPAC Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-3-oxonaphthalene-2-sulfonate Traditional Name: trisodium; copper; (4Z)-4-[[2-hydroxy-5-(2-sulfatoethylsulfonyl)phenyl]hydrazono]-3-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C18H13CuN2Na3O14S4 MolecularWeight: 742.07613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOO[O-])C=C(C(=O)C2=NNC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]

Isomeric SMILES

C1=CC\2=C(C=C1SOO[O-])C=C(C(=O)/C2=N\NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu]

InChI

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