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

Systemtic Name: disodium (3E)-7-[[4-fluoranyl-6-[[4-(2-hydroxyethyloxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3E)-7-[[4-fluoro-6-[4-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3E)-7-[[4-fluoro-6-[4-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3E)-7-[[4-fluoro-6-[4-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3E)-7-[[4-fluoro-6-[4-(2-hydroxyethoxy)anilino]-s-triazin-2-yl]amino]-4-keto-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C27H20FN7Na2O9S2 MolecularWeight: 715.597143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)OCCO)F)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)OCCO)F)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H22FN7O9S2.2Na/c28-25-31-26(29-16-5-8-18(9-6-16)44-12-11-36)33-27(32-25)30-17-7-10-19-15(13-17)14-22(46(41,42)43)23(24(19)37)35-34-20-3-1-2-4-21(20)45(38,39)40;;/h1-10,13-14,34,36H,11-12H2,(H,38,39,40)(H,41,42,43)(H2,29,30,31,32,33);;/q;2*+1/p-2/b35-23-;;