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

Systemtic Name: [6-azanylidene-5-[2-[4-[[4,6-bis[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinyl]-4-oxidanylidene-naphthalen-2-yl] hydrogen sulfite Openeye Name: [5-[2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazino]-6-imino-4-oxo-2-naphthyl] hydrogen sulfite CAS Name: 5-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(2-imino-8-oxo-6-sulfinooxy-1-naphthalenyl)hydrazo]benzenesulfenic acid hydroperoxy ester IUPAC Name: [5-[2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalen-2-yl] hydrogen sulfite Traditional Name: sulfurous acid [5-[N'-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-s-triazin-2-yl]amino]-2-(trioxidanylthio)phenyl]hydrazino]-6-imino-4-keto-2-naphthyl] ester Formula: C27H33N9O11S2 MolecularWeight: 723.73462

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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)SOOO

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)SOOO

InChI

InChI=1S/C27H33N9O11S2/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)