Trisodium 5-(Acetylamino)-4-Hydroxy-3-[[4-[[[2-Methoxy-5-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]Carbonyl]Phenyl]Azo]Naphthalene-2,7-Disulphonate
[CAS# 84083-10-3]

Identification

• Name: Trisodium 5-(Acetylamino)-4-Hydroxy-3-[[4-[[[2-Methoxy-5-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]Carbonyl]Phenyl]Azo]Naphthalene-2,7-Disulphonate
• Synonyms: Trisodium (3E)-5-Acetamido-3-[[4-[[2-Methoxy-5-(2-Sulfonatooxyethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (3E)-5-Acetamido-3-[[4-[[[2-Methoxy-5-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-Oxomethyl]Phenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Trisodium (3E)-5-Acetamido-4-Keto-3-[[4-[[2-Methoxy-5-(2-Sulfatoethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₈H₂₃N₄Na₃O₁₆S₄
• Molecular Weight: 868.72
• CAS Registry Number: 84083-10-3
• EINECS: 282-058-9
• SMILES: C1=C([S]([O-])(=O)=O)C=C(NC(=O)C)C4=C1C=C([S]([O-])(=O)=O)/C(=N/NC3=CC=C(C(=O)NC2=C(OC)C=CC(=C2)[S](=O)(=O)CCO[S]([O-])(=O)=O)C=C3)C4=O.[Na+].[Na+].[Na+]
• InChI: 1S/C28H26N4O16S4.3Na/c1-15(33)29-22-14-20(50(38,39)40)11-17-12-24(51(41,42)43)26(27(34)25(17)22)32-31-18-5-3-16(4-6-18)28(35)30-21-13-19(7-8-23(21)47-2)49(36,37)10-9-48-52(44,45)46;;;/h3-8,11-14,31H,9-10H2,1-2H3,(H,29,33)(H,30,35)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3/b32-26-
• InChIKey: SXSGMTJRWNRQNP-DRRUBYQMSA-K