trisodium (3Z)-5-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-[[4-chloro-6-(N-methylanilino)-s-triazin-2-yl]amino]-4-keto-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C26H17ClN7Na3O10S3 MolecularWeight: 788.07139

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Descriptors Computed from Structure

Canonical SMILES:

CN(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)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

CN(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)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41;;;/h2-13,32H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3/b33-22+;;;