Food Brown 1
[CAS# 8062-14-4]

Identification

• Name: Food Brown 1
• Synonyms: Trisodium; 4-(2,4-Diamino-5-Methyl-Phenyl)Azobenzenesulfonate; 4-[2,4-Diamino-5-(4-Sulfonatophenyl)Azo-Phenyl]Azobenzenesulfonate; Trisodium; 4-(2,4-Diamino-5-Methylphenyl)Azobenzenesulfonate; 4-[2,4-Diamino-5-(4-Sulfonatophenyl)Azophenyl]Azobenzenesulfonate
• Molecular Formula: C₃₁H₂₇N₁₀Na₃O₉S₃
• Molecular Weight: 848.77
• CAS Registry Number: 8062-14-4
• SMILES: C2=C(N=NC1=CC=C([S]([O-])(=O)=O)C=C1)C(=CC(=C2N=NC3=CC=C([S]([O-])(=O)=O)C=C3)N)N.C5=C(N=NC4=CC=C([S]([O-])(=O)=O)C=C4)C(=CC(=C5C)N)N.[Na+].[Na+].[Na+]
• InChI: 1S/C18H16N6O6S2.C13H14N4O3S.3Na/c19-15-9-16(20)18(24-22-12-3-7-14(8-4-12)32(28,29)30)10-17(15)23-21-11-1-5-13(6-2-11)31(25,26)27;1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);2-7H,14-15H2,1H3,(H,18,19,20);;;/q;;3*+1/p-3
• InChIKey: YJCJAUSWVUZMSY-UHFFFAOYSA-K