disodium (3E)-7-[[4-[ethyl(phenyl)amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3E)-7-[[4-[ethyl(phenyl)amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3E)-7-[[4-(N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3E)-7-[[4-(N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3E)-7-[[4-(N-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3E)-7-[[4-(N-ethylanilino)-6-fluoro-s-triazin-2-yl]amino]-4-keto-3-[(4-methoxy-2-sulfonato-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C28H22FN7Na2O8S2 MolecularWeight: 713.624323

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)C(=O)C(=NNC5=C(C=C(C=C5)OC)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])F.[Na+].[Na+]

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)C(=O)/C(=N\NC5=C(C=C(C=C5)OC)S(=O)(=O)[O-])/C(=C4)S(=O)(=O)[O-])F.[Na+].[Na+]

InChI

InChI=1S/C28H24FN7O8S2.2Na/c1-3-36(18-7-5-4-6-8-18)28-32-26(29)31-27(33-28)30-17-9-11-20-16(13-17)14-23(46(41,42)43)24(25(20)37)35-34-21-12-10-19(44-2)15-22(21)45(38,39)40;;/h4-15,34H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,30,31,32,33);;/q;2*+1/p-2/b35-24-;;