Tetrasodium 5-Benzamido-3-[5-[[4-Fluoro-6-[(1-Sulfonato-2-Naphthyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-4-Hydroxy-Naphthalene-2,7-Disulfonate
[CAS# 171172-56-8]

Identification

• Name: Tetrasodium 5-Benzamido-3-[5-[[4-Fluoro-6-[(1-Sulfonato-2-Naphthyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Azo-4-Hydroxy-Naphthalene-2,7-Disulfonate
• 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: 171172-56-8
• SMILES: c1ccc(cc1)C(=O)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)[O-])N=Nc4cc(ccc4S(=O)(=O)[O-])Nc5nc(nc(n5)F)Nc6ccc7ccccc7c6S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• 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;;;;/h1-17,46H,(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
• InChIKey: KBLFBDNTBOJVHV-UHFFFAOYSA-J

Properties

• Refractive index: (Cal.)