tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-oxidanidylperoxysulfanyl-8-oxidanylidene-3-sulfonato-naphthalen-1-yl]amino]-4-oxidanylidene-1H-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-oxidanidylperoxysulfanyl-8-oxidanylidene-3-sulfonato-naphthalen-1-yl]amino]-4-oxidanylidene-1H-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazono]-6-oxidoperoxysulfanyl-8-oxo-3-sulfonato-1-naphthyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoate CAS Name: tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-(oxidodioxythio)-8-oxo-3-sulfonato-1-naphthalenyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoate IUPAC Name: tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-oxidoperoxysulfanyl-8-oxo-3-sulfonatonaphthalen-1-yl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoate Traditional Name: tetrasodium 2-[[6-[[(7E)-7-[(2-carboxylatophenyl)hydrazono]-8-keto-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]amino]-4-keto-1H-s-triazin-2-yl]amino]benzoate Formula: C27H15N7Na4O12S2 MolecularWeight: 785.53678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC2=NC(=O)N=C(N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=CC=CC=C5C(=O)[O-])C4=O)SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC2=NC(=O)N=C(N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N/NC5=CC=CC=C5C(=O)[O-])/C4=O)SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H19N7O12S2.4Na/c35-22-20-12(10-19(47-46-45-41)21(22)34-33-17-8-4-2-6-15(17)24(38)39)9-13(48(42,43)44)11-18(20)29-26-30-25(31-27(40)32-26)28-16-7-3-1-5-14(16)23(36)37;;;;/h1-11,33,41H,(H,36,37)(H,38,39)(H,42,43,44)(H3,28,29,30,31,32,40);;;;/q;4*+1/p-4/b34-21-;;;;