disodium [6-azanylidene-5-[2-[4-[[4,6-bis[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-oxidanidylperoxysulfanyl-phenyl]hydrazinyl]-4-oxidanylidene-naphthalen-2-yl] sulfite

Systemtic Name: disodium [6-azanylidene-5-[2-[4-[[4,6-bis[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-oxidanidylperoxysulfanyl-phenyl]hydrazinyl]-4-oxidanylidene-naphthalen-2-yl] sulfite Openeye Name: disodium [5-[2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-oxidoperoxysulfanyl-phenyl]hydrazino]-6-imino-4-oxo-2-naphthyl] sulfite CAS Name: disodium [5-[[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-(oxidodioxythio)phenyl]hydrazo]-6-imino-4-oxo-2-naphthalenyl] sulfite IUPAC Name: disodium [5-[2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-oxidoperoxysulfanylphenyl]hydrazinyl]-6-imino-4-oxonaphthalen-2-yl] sulfite Traditional Name: disodium [5-[N'-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-s-triazin-2-yl]amino]-2-(oxidoperoxythio)phenyl]hydrazino]-6-imino-4-keto-2-naphthyl] sulfite Formula: C27H31N9Na2O11S2 MolecularWeight: 767.69828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)OS(=O)[O-])NNC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCOCCO)NCCOCCO)SOO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)OS(=O)[O-])NNC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCOCCO)NCCOCCO)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C27H33N9O11S2.2Na/c28-19-3-1-16-13-18(45-49(41)42)15-21(39)23(16)24(19)36-35-20-4-2-17(14-22(20)48-47-46-40)31-27-33-25(29-5-9-43-11-7-37)32-26(34-27)30-6-10-44-12-8-38;;/h1-4,13-15,28,35-38,40H,5-12H2,(H,41,42)(H3,29,30,31,32,33,34);;/q;2*+1/p-2