7-[2-[2-[(Aminocarbonyl)Amino]-4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulfo-1-Anthracenyl)Amino]-2-Sulfophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Diazenyl]-1,3,6-Naphthalenetrisulfonicacid Sodium Salt (1:5)
[CAS# 12225-77-3]

Identification

• Name: 7-[2-[2-[(Aminocarbonyl)Amino]-4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulfo-1-Anthracenyl)Amino]-2-Sulfophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Diazenyl]-1,3,6-Naphthalenetrisulfonicacid Sodium Salt (1:5)
• Synonyms: Pentasodium 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-2-Sulfonato-Phenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate; Pentasodium 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-2-Sulfonatophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Ureidophenyl]Azonaphthalene-1,3,6-Trisulfonate; Pentasodium 7-[4-[[4-[[5-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]-2-Sulfonato-Phenyl]Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate
• Molecular Formula: C₄₀H₂₃ClN₁₁Na₅O₁₈S₅
• Molecular Weight: 1256.39
• CAS Registry Number: 12225-77-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=C7C(=C1NC2=CC=C([S]([O-])(=O)=O)C(=C2)NC3=NC(=NC(=N3)NC6=CC=C(N=NC5=CC4=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C4C=C5[S]([O-])(=O)=O)C(=C6)NC(=O)N)Cl)C(=O)C8=C(C7=O)C=CC=C8)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C40H28ClN11O18S5.5Na/c41-37-48-39(45-18-5-7-23(24(11-18)46-38(43)55)51-52-26-14-22-16(10-30(26)74(65,66)67)9-19(71(56,57)58)13-29(22)73(62,63)64)50-40(49-37)47-25-12-17(6-8-28(25)72(59,60)61)44-27-15-31(75(68,69)70)34(42)33-32(27)35(53)20-3-1-2-4-21(20)36(33)54;;;;;/h1-15,44H,42H2,(H3,43,46,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,48,49,50);;;;;/q;5*+1/p-5
• InChIKey: CRPWZYNYCKUHKB-UHFFFAOYSA-I