Acid Brown 122
[CAS# 6487-05-4]

Identification

• Name: Acid Brown 122
• Synonyms: Disodium (3E)-6-[(N'e)-N'-[(5Z)-5-[(2-Hydroxy-3-Nitro-5-Sulfonato-Phenyl)Hydrazono]-4,6-Dioxo-1-Cyclohex-2-Enylidene]Hydrazino]-3-[(4-Nitrophenyl)Hydrazono]-4-Oxo-Naphthalene-2-Sulfonate; Disodium (3E)-6-[(N'e)-N'-[(5Z)-5-[(2-Hydroxy-3-Nitro-5-Sulfonatophenyl)Hydrazono]-4,6-Dioxo-1-Cyclohex-2-Enylidene]Hydrazino]-3-[(4-Nitrophenyl)Hydrazono]-4-Oxo-2-Naphthalenesulfonate; Disodium (3E)-6-[(N'e)-N'-[(5Z)-5-[(2-Hydroxy-3-Nitro-5-Sulfonato-Phenyl)Hydrazono]-4,6-Diketo-1-Cyclohex-2-Enylidene]Hydrazino]-4-Keto-3-[(4-Nitrophenyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₈H₁₆N₈Na₂O₁₄S₂
• Molecular Weight: 798.58
• CAS Registry Number: 6487-05-4
• EINECS: 229-363-5
• SMILES: C3=C(N\N=C2\C(=O)\C(=N/NC1=C(O)C(=CC(=C1)[S]([O-])(=O)=O)[N+]([O-])=O)C(=O)C=C2)C=CC5=C3C(=O)C(=N/NC4=CC=C([N+]([O-])=O)C=C4)\C(=C5)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C28H18N8O14S2.2Na/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42;;/h1-12,29-30,32,39H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b31-19+,33-24-,34-25-
• InChIKey: PUWHJUFMJNVDLW-WEGMTRGTSA-L