5-(Acetylamino)-4-Hydroxy-3-[2-[4-[[[3-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Amino]Carbonyl]Phenyl]Diazenyl]-2,7-Naphthalenedisulfonicacid
[CAS# 13588-33-5]

Identification

• Name: 5-(Acetylamino)-4-Hydroxy-3-[2-[4-[[[3-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Amino]Carbonyl]Phenyl]Diazenyl]-2,7-Naphthalenedisulfonicacid
• Synonyms: (3E)-5-Acetamido-4-Oxo-3-[[4-[[3-(2-Sulfooxyethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonic Acid; (3E)-5-Acetamido-4-Oxo-3-[[4-[Oxo-[[3-(2-Sulfooxyethylsulfonyl)Phenyl]Amino]Methyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonic Acid; (3E)-5-Acetamido-4-Keto-3-[[4-[[3-(2-Sulfoxyethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Hydrazono]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₂₇H₂₄N₄O₁₅S₄
• Molecular Weight: 772.74
• CAS Registry Number: 13588-33-5
• 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=CC(=CC=C2)[S](=O)(=O)CCO[S](O)(=O)=O)C=C3)C4=O
• InChI: 1S/C27H24N4O15S4/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45/h2-8,11-14,30H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)/b31-25-
• InChIKey: KDXCPYZGNOFJOI-GDWJVWIDSA-N

Properties

• Density: 1.752g/cm³ (Cal.)