tetrasodium; copper; 2-oxidanidyl-3-[[1-oxidanidyl-3,6-bis(oxidanidylperoxysulfanyl)naphthalen-2-yl]diazenyl]-5-sulfonato-benzoate

Systemtic Name: tetrasodium; copper; 2-oxidanidyl-3-[[1-oxidanidyl-3,6-bis(oxidanidylperoxysulfanyl)naphthalen-2-yl]diazenyl]-5-sulfonato-benzoate Openeye Name: tetrasodium; copper; 2-oxido-3-[[1-oxido-3,6-bis(oxidoperoxysulfanyl)-2-naphthyl]azo]-5-sulfonato-benzoate CAS Name: tetrasodium; copper; 2-oxido-3-[[1-oxido-3,6-bis(oxidodioxythio)-2-naphthalenyl]azo]-5-sulfonatobenzoate IUPAC Name: tetrasodium; copper; 2-oxido-3-[[1-oxido-3,6-bis(oxidoperoxysulfanyl)naphthalen-2-yl]diazenyl]-5-sulfonatobenzoate Traditional Name: tetrasodium; copper; 2-oxido-3-[[1-oxido-3,6-bis(oxidoperoxythio)-2-naphthyl]azo]-5-sulfonato-benzoate Formula: C17H6CuN2Na4O13S3-2 MolecularWeight: 697.93522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1SOO[O-])SOO[O-])N=NC3=C(C(=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1SOO[O-])SOO[O-])N=NC3=C(C(=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu]

InChI

InChI=1S/C17H12N2O13S3.Cu.4Na/c20-15-11(17(22)23)5-9(35(26,27)28)6-12(15)18-19-14-13(34-32-30-25)4-7-3-8(33-31-29-24)1-2-10(7)16(14)21;;;;;/h1-6,20-21,24-25H,(H,22,23)(H,26,27,28);;;;;/q;;4*+1/p-6