trisodium (6E)-4-[[4-chloranyl-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (6E)-4-[[4-chloranyl-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-7-(oxidodioxythio)-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (6E)-4-[[4-chloro-6-(N-ethylanilino)-s-triazin-2-yl]amino]-5-keto-7-(oxidoperoxythio)-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C27H19ClN7Na3O10S3 MolecularWeight: 802.09797

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=CC=CC=C5S(=O)(=O)[O-])C4=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N/NC5=CC=CC=C5S(=O)(=O)[O-])/C4=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(47(38,39)40)12-15-13-20(46-45-44-37)23(24(36)22(15)19)34-33-18-10-6-7-11-21(18)48(41,42)43;;;/h3-14,33,37H,2H2,1H3,(H,38,39,40)(H,41,42,43)(H,29,30,31,32);;;/q;3*+1/p-3/b34-23-;;;