Trisodium 3-[[1-Hydroxy-6-[[[[5-Hydroxy-6-(Phenylazo)-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Amino]-3-Sulphonato-2-Naphthyl]Azo]Benzoate
[CAS# 6420-40-2]

Identification

• Name: Trisodium 3-[[1-Hydroxy-6-[[[[5-Hydroxy-6-(Phenylazo)-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Amino]-3-Sulphonato-2-Naphthyl]Azo]Benzoate
• Synonyms: Disodium (3Z)-3-[(3-Carboxyphenyl)Hydrazono]-4-Oxo-7-[[(6Z)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]Naphthalene-2-Sulfonate; Disodium (3Z)-3-[(3-Carboxyphenyl)Hydrazono]-4-Oxo-7-[[Oxo-[[(6Z)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Amino]Methyl]Amino]-2-Naphthalenesulfonate; Disodium (3Z)-3-[(3-Carboxyphenyl)Hydrazono]-4-Keto-7-[[(6Z)-5-Keto-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]Naphthalene-2-Sulfonate
• Molecular Formula: C₃₄H₂₂N₆Na₂O₁₁S₂
• Molecular Weight: 800.68
• CAS Registry Number: 6420-40-2
• EINECS: 229-161-7
• SMILES: C4=C(NC(=O)NC3=CC2=C(C(=O)C(=N/NC1=CC=CC=C1)/C(=C2)[S]([O-])(=O)=O)C=C3)C=CC6=C4C=C([S]([O-])(=O)=O)\C(=N/NC5=CC=CC(=C5)C(O)=O)C6=O.[Na+].[Na+]
• InChI: 1S/C34H24N6O11S2.2Na/c41-31-25-11-9-22(14-19(25)16-27(52(46,47)48)29(31)39-37-21-6-2-1-3-7-21)35-34(45)36-23-10-12-26-20(15-23)17-28(53(49,50)51)30(32(26)42)40-38-24-8-4-5-18(13-24)33(43)44;;/h1-17,37-38H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b39-29+,40-30+
• InChIKey: OWSXRMONOGBOKB-GVKSRPACSA-L