Direct Red 81
[CAS# 12237-71-7]

Identification

• Name: Direct Red 81
• Synonyms: Disodium (3E)-7-(Benzoylamino)-4-Oxo-3-[[4-(4-Sulfonatophenyl)Azophenyl]Hydrazono]Naphthalene-2-Sulfonate; Disodium (3E)-4-Oxo-7-[(Oxo-Phenylmethyl)Amino]-3-[[4-(4-Sulfonatophenyl)Azophenyl]Hydrazono]-2-Naphthalenesulfonate; Disodium (3E)-7-(Benzoylamino)-4-Keto-3-[[4-(4-Sulfonatophenyl)Azophenyl]Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₂₉H₁₉N₅Na₂O₈S₂
• Molecular Weight: 675.60
• CAS Registry Number: 12237-71-7
• SMILES: C2=C(NC(=O)C1=CC=CC=C1)C=CC5=C2C=C([S]([O-])(=O)=O)/C(=N/NC4=CC=C(N=NC3=CC=C([S]([O-])(=O)=O)C=C3)C=C4)C5=O.[Na+].[Na+]
• InChI: 1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,33H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31?,34-27-
• InChIKey: OTPBDPKSNGORHR-ATQPHANLSA-L