trisodium 3-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-oxidanidylperoxysulfanyl-phenyl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: trisodium 3-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-oxidanidylperoxysulfanyl-phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: trisodium 3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-oxidoperoxysulfanyl-phenyl]azonaphthalene-1,5-disulfonate CAS Name: trisodium 3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(oxidodioxythio)phenyl]azonaphthalene-1,5-disulfonate IUPAC Name: trisodium 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-oxidoperoxysulfanylphenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: trisodium 3-[4-[(4,6-dichloro-s-triazin-2-yl)amino]-2-(oxidoperoxythio)phenyl]azonaphthalene-1,5-disulfonate Formula: C19H9Cl2N6Na3O9S3 MolecularWeight: 701.37987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)Cl)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H12Cl2N6O9S3.3Na/c20-17-23-18(21)25-19(24-17)22-9-4-5-13(14(7-9)37-36-35-28)27-26-10-6-12-11(16(8-10)39(32,33)34)2-1-3-15(12)38(29,30)31;;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;;/q;3*+1/p-3