Tetrasodium (3Z)-5-(benzoylamino)-3-{[5-({4-fluoro-6-[(1-sulfonato-2-naphthyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]hydrazono}-4-oxo-3,4-dihydro-2,7-naphthalenedisulfonate
[CAS# 85665-97-0]

Identification

• Name: Tetrasodium (3Z)-5-(benzoylamino)-3-{[5-({4-fluoro-6-[(1-sulfonato-2-naphthyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]hydrazono}-4-oxo-3,4-dihydro-2,7-naphthalenedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((5-((4-fluoro-6-((1-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4-hydroxy-, tetrasodium salt
• Molecular Formula: C₃₆H₂₁FN₈Na₄O₁₄S₄
• Molecular Weight: 1028.81
• CAS Registry Number: 85665-97-0
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C7=C\c2cc(cc(NC(=O)c1ccccc1)c2C(=O)C7=N/Nc3c(ccc(c3)Nc4nc(F)nc(n4)Nc5c(c6c(cc5)cccc6)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C36H25FN8O14S4.4Na/c37-34-41-35(43-36(42-34)40-24-12-10-18-6-4-5-9-23(18)32(24)63(57,58)59)38-21-11-13-27(61(51,52)53)25(16-21)44-45-30-28(62(54,55)56)15-20-14-22(60(48,49)50)17-26(29(20)31(30)46)39-33(47)19-7-2-1-3-8-19;;;;/h1-17,44H,(H,39,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H2,38,40,41,42,43);;;;/q;4*+1/p-4/b45-30+
• InChIKey: BBEMCNFNJQGPQK-YWUFOJBQSA-J