Direct Orange 31
[CAS# 6420-03-7]

Identification

• Name: Direct Orange 31
• Synonyms: Disodium (3E)-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Phenyl]Phenyl]Hydrazono]-6-Oxo-Cyclohexa-1,4-Diene-1-Carboxylate; Disodium (3E)-3-[[2-Methyl-4-[3-Methyl-4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Phenyl]Phenyl]Hydrazono]-6-Oxo-1-Cyclohexa-1,4-Dienecarboxylate; Disodium (3E)-6-Keto-3-[[4-[4-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Hydrazono]Cyclohexa-1,4-Diene-1-Carboxylate
• Molecular Formula: C₃₁H₂₄N₆Na₂O₇S
• Molecular Weight: 670.61
• CAS Registry Number: 6420-03-7
• EINECS: 229-149-1
• SMILES: C3=C(C2=CC(=C(N\N=C1\C=C(C(=O)C=C1)C([O-])=O)C=C2)C)C=CC(=C3C)N=NC4C(=NN(C4=O)C5=CC=C([S]([O-])(=O)=O)C=C5)C.[Na+].[Na+]
• InChI: 1S/C31H26N6O7S.2Na/c1-17-14-20(4-11-26(17)33-32-22-6-13-28(38)25(16-22)31(40)41)21-5-12-27(18(2)15-21)34-35-29-19(3)36-37(30(29)39)23-7-9-24(10-8-23)45(42,43)44;;/h4-16,29,33H,1-3H3,(H,40,41)(H,42,43,44);;/q;2*+1/p-2/b32-22+,35-34?
• InChIKey: BJUQLEAEUXLGKA-PNBRUKTOSA-L