tetrasodium (4E)-4-[[4-[(6-oxidanidylperoxysulfanyl-8-sulfonato-naphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (4E)-4-[[4-[(6-oxidanidylperoxysulfanyl-8-sulfonato-naphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: tetrasodium (4E)-4-[[4-[(6-oxidoperoxysulfanyl-8-sulfonato-2-naphthyl)azo]-1-naphthyl]hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: tetrasodium (4E)-4-[[4-[[6-(oxidodioxythio)-8-sulfonato-2-naphthalenyl]azo]-1-naphthalenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium (4E)-4-[[4-[(6-oxidoperoxysulfanyl-8-sulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: tetrasodium (4E)-3-keto-4-[[4-[[6-(oxidoperoxythio)-8-sulfonato-2-naphthyl]azo]-1-naphthyl]hydrazono]naphthalene-2,7-disulfonate Formula: C30H16N4Na4O13S4 MolecularWeight: 860.68612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=C(C=C4C=C3)SOO[O-])S(=O)(=O)[O-])NN=C5C6=C(C=C(C=C6)S(=O)(=O)[O-])C=C(C5=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=C(C=C4C=C3)SOO[O-])S(=O)(=O)[O-])N/N=C/5\C6=C(C=C(C=C6)S(=O)(=O)[O-])C=C(C5=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H20N4O13S4.4Na/c35-30-28(51(43,44)45)13-17-12-20(49(37,38)39)7-8-21(17)29(30)34-33-26-10-9-25(22-3-1-2-4-23(22)26)32-31-18-6-5-16-11-19(48-47-46-36)15-27(24(16)14-18)50(40,41)42;;;;/h1-15,33,36H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b32-31?,34-29+;;;;