5-[[4-Chloro-6-[[4-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid Pentasodium Salt
[CAS# 68991-99-1]

Identification

• Name: 5-[[4-Chloro-6-[[4-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid Pentasodium Salt
• Synonyms: Pentasodium (3Z)-5-[[4-Chloro-6-[[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-[[4-Chloro-6-[[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-[[4-Chloro-6-[[4-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₄H₁₉Cl₂N₁₂Na₅O₁₆S₅
• Molecular Weight: 1197.75
• CAS Registry Number: 68991-99-1
• EINECS: 273-663-9
• SMILES: C5=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)NC4=C([S]([O-])(=O)=O)C=C(NC2=NC(=NC(=N2)NC3=CC(=CC=C3)[S]([O-])(=O)=O)Cl)C=C4)Cl)C7=C5C=C([S]([O-])(=O)=O)\C(=N/NC6=CC=CC=C6[S]([O-])(=O)=O)C7=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-20(24(13-17)68(59,60)61)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-21-6-1-2-7-23(21)67(56,57)58;;;;;/h1-14,47H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5/b48-27+
• InChIKey: GZDAYPDQUGNCRG-HMTBFDLSSA-I