Pentasodium 2-[[1-Amino-7-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulphonatophenyl]Azo]-8-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 68992-03-0]

Identification

• Name: Pentasodium 2-[[1-Amino-7-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulphonatophenyl]Azo]-8-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-6-[(1,5-Disulfonato-2-Naphthyl)Azo]-4-Oxo-Naphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonatophenyl]Hydrazono]-6-[(1,5-Disulfonato-2-Naphthyl)Azo]-4-Oxonaphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-S-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-6-[(1,5-Disulfonato-2-Naphthyl)Azo]-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₉H₁₄Cl₂N₉Na₅O₁₆S₅
• Molecular Weight: 1090.64
• CAS Registry Number: 68992-03-0
• EINECS: 273-668-6
• SMILES: C1=C6C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC3=C([S]([O-])(=O)=O)C2=C(C(=CC=C2)[S]([O-])(=O)=O)C=C3)C(=O)C(=N/NC4=C([S]([O-])(=O)=O)C=CC(=C4)NC5=NC(=NC(=N5)Cl)Cl)/C(=C6)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H19Cl2N9O16S5.5Na/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44;;;;;/h1-10,38H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36);;;;;/q;5*+1/p-5/b39-37?,40-24+
• InChIKey: ACFFUJCGTUXHMU-SKKUZSPTSA-I