(6E)-4-[[4-chloranyl-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-[[4-chloranyl-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-[[4-chloro-6-(N-ethylanilino)-s-triazin-2-yl]amino]-5-keto-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C27H22ClN7O10S3 MolecularWeight: 736.15248

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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)SOOO)Cl

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)SOOO)Cl

InChI

InChI=1S/C27H22ClN7O10S3/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)/b34-23-