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

Systemtic Name: tetrasodium 1-[6-[[(7Z)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-oxidanidylperoxysulfanyl-8-oxidanylidene-3-sulfonato-naphthalen-1-yl]amino]-4-oxidanylidene-1H-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylate Openeye Name: tetrasodium 1-[6-[[(7Z)-7-[(2-carboxylatophenyl)hydrazono]-6-oxidoperoxysulfanyl-8-oxo-3-sulfonato-1-naphthyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylate CAS Name: tetrasodium 1-[6-[[(7Z)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-(oxidodioxythio)-8-oxo-3-sulfonato-1-naphthalenyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]-2-pyrrolidinecarboxylate IUPAC Name: tetrasodium 1-[6-[[(7Z)-7-[(2-carboxylatophenyl)hydrazinylidene]-6-oxidoperoxysulfanyl-8-oxo-3-sulfonatonaphthalen-1-yl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylate Traditional Name: tetrasodium 1-[6-[[(7Z)-7-[(2-carboxylatophenyl)hydrazono]-8-keto-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]amino]-4-keto-1H-s-triazin-2-yl]pyrrolidine-2-carboxylate Formula: C25H17N7Na4O12S2 MolecularWeight: 763.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=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-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CC(N(C1)C2=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-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H21N7O12S2.4Na/c33-20-18-11(9-17(45-44-43-39)19(20)31-30-14-5-2-1-4-13(14)21(34)35)8-12(46(40,41)42)10-15(18)26-23-27-24(29-25(38)28-23)32-7-3-6-16(32)22(36)37;;;;/h1-2,4-5,8-10,16,30,39H,3,6-7H2,(H,34,35)(H,36,37)(H,40,41,42)(H2,26,27,28,29,38);;;;/q;4*+1/p-4/b31-19+;;;;