tetrasodium 2-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-5-[[4-[hydroxymethyl-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-6-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: tetrasodium 2-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-5-[[4-[hydroxymethyl-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-6-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)amino]-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: tetrasodium 5-[[4-[hydroxymethyl-(1-methyl-2-oxido-2-oxo-ethyl)amino]-6-[(1-methyl-2-oxido-2-oxo-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxo-1-naphthyl)hydrazino]benzoate CAS Name: tetrasodium 5-[[4-[hydroxymethyl-(1-oxido-1-oxopropan-2-yl)amino]-6-[(1-oxido-1-oxopropan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-[[2-imino-6-(oxidodioxythio)-8-oxo-1-naphthalenyl]hydrazo]benzoate IUPAC Name: tetrasodium 5-[[4-[hydroxymethyl-(1-oxido-1-oxopropan-2-yl)amino]-6-[(1-oxido-1-oxopropan-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxonaphthalen-1-yl)hydrazinyl]benzoate Traditional Name: tetrasodium 2-[N'-[2-imino-8-keto-6-(oxidoperoxythio)-1-naphthyl]hydrazino]-5-[[4-[(2-keto-1-methyl-2-oxido-ethyl)amino]-6-[(2-keto-1-methyl-2-oxido-ethyl)-methylol-amino]-s-triazin-2-yl]amino]benzoate Formula: C27H23N9Na4O11S MolecularWeight: 773.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)SOO[O-])C=CC3=N)C(=O)[O-])N(CO)C(C)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C(=O)[O-])NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)SOO[O-])C=CC3=N)C(=O)[O-])N(CO)C(C)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H27N9O11S.4Na/c1-11(22(39)40)29-25-31-26(33-27(32-25)36(10-37)12(2)23(41)42)30-14-4-6-18(16(8-14)24(43)44)34-35-21-17(28)5-3-13-7-15(48-47-46-45)9-19(38)20(13)21;;;;/h3-9,11-12,28,34-35,37,45H,10H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H2,29,30,31,32,33);;;;/q;4*+1/p-4