Pentasodium 3-[[4-[[4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphonato-1-Naphthyl]Azo]-6-Sulphonato-1-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 81430-40-2]

Identification

• Name: Pentasodium 3-[[4-[[4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphonato-1-Naphthyl]Azo]-6-Sulphonato-1-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Pentasodium 3-[[4-[[4-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonato-1-Naphthyl]Azo]-6-Sulfonato-1-Naphthyl]Azo]Naphthalene-1,5-Disulfonate; Pentasodium 3-[[4-[[4-[[4-Chloro-6-[[3-(2-Sulfatoethylsulfonyl)Phenyl]Amino]-S-Triazin-2-Yl]Amino]-5-Sulfonato-1-Naphthyl]Azo]-6-Sulfonato-1-Naphthyl]Azo]Naphthalene-1,5-Disulfonate; Pentasodium 3-[4-[4-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonato-Naphthalen-1-Yl]Diazenyl-6-Sulfonato-Naphthalen-1-Yl]Diazenylnaphthalene-1,5-Disulfonate
• Molecular Formula: C₄₁H₂₅ClN₉Na₅O₁₈S₆
• Molecular Weight: 1274.46
• CAS Registry Number: 81430-40-2
• EINECS: 279-762-3
• SMILES: C7=C(N=NC5=CC=C(N=NC3=CC=C(NC1=NC(=NC(=N1)Cl)NC2=CC(=CC=C2)[S](=O)(=O)CCO[S]([O-])(=O)=O)C4=C3C=CC=C4[S]([O-])(=O)=O)C6=C5C=CC(=C6)[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C8=C7C(=CC=C8)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C41H30ClN9O18S6.5Na/c42-39-45-40(43-22-4-1-5-24(18-22)70(52,53)17-16-69-75(66,67)68)47-41(46-39)44-34-15-14-32(28-7-3-9-36(38(28)34)73(60,61)62)50-51-33-13-12-31(26-11-10-25(21-29(26)33)71(54,55)56)49-48-23-19-30-27(37(20-23)74(63,64)65)6-2-8-35(30)72(57,58)59;;;;;/h1-15,18-21H,16-17H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5
• InChIKey: WTCMKSCWAMXJGO-UHFFFAOYSA-I