Direct Brown 1A
[CAS# 2586-58-5]

Identification

• Name: Direct Brown 1A
• Synonyms: Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azophenyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azophenyl]Azophenyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Disodium (3E)-3-[[4-[4-[2,6-Diamino-3-Methyl-5-(4-Sulfonatophenyl)Azo-Phenyl]Azophenyl]Phenyl]Hydrazono]-6-Keto-Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₂H₂₄N₈Na₂O₆S
• Molecular Weight: 694.63
• CAS Registry Number: 2586-58-5
• EINECS: 219-965-6
• SMILES: C4=C(C(=C(N=NC3=CC=C(C2=CC=C(N\N=C1\C=C(C(=O)C=C1)C([O-])=O)C=C2)C=C3)C(=C4N=NC5=CC=C([S]([O-])(=O)=O)C=C5)N)N)C.[Na+].[Na+]
• InChI: 1S/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,35H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-24+,39-36?,40-37?
• InChIKey: LWPVONMSVVDCQI-UYQWEBAESA-L