tetrasodium (6E)-4-benzamido-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: tetrasodium (6E)-4-benzamido-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: tetrasodium (6E)-4-benzamido-7-oxidoperoxysulfanyl-5-oxo-6-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: tetrasodium (6E)-4-benzamido-7-(oxidodioxythio)-5-oxo-6-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: tetrasodium (6E)-4-benzamido-7-oxidoperoxysulfanyl-5-oxo-6-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: tetrasodium (6E)-4-benzamido-5-keto-7-(oxidoperoxythio)-6-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C29H19N3Na4O17S5 MolecularWeight: 933.75514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])C3=O)SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])/C3=O)SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(52(38,39)40)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(50-49-48-35)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(41,42)43)51(36,37)11-10-47-54(44,45)46;;;;/h1-9,12-15,31,35H,10-11H2,(H,30,34)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4/b32-26-;;;;