7-[[3-(Acetylamino)Benzoyl]Amino]-4-Hydroxy-3-[[2-Methyl-4-[(2-Methyl-4-Sulphophenyl)Azo]Phenyl]Azo]Naphthalene-2-Sulphonic Acid
[CAS# 94108-92-6]

Identification

• Name: 7-[[3-(Acetylamino)Benzoyl]Amino]-4-Hydroxy-3-[[2-Methyl-4-[(2-Methyl-4-Sulphophenyl)Azo]Phenyl]Azo]Naphthalene-2-Sulphonic Acid
• Synonyms: (3E)-7-[(3-Acetamidobenzoyl)Amino]-3-[[2-Methyl-4-(2-Methyl-4-Sulfo-Phenyl)Azo-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2-Sulfonic Acid; (3E)-7-[[(3-Acetamidophenyl)-Oxomethyl]Amino]-3-[[2-Methyl-4-(2-Methyl-4-Sulfophenyl)Azophenyl]Hydrazono]-4-Oxo-2-Naphthalen
• Molecular Formula: C₃₃H₂₈N₆O₉S₂
• Molecular Weight: 716.74
• CAS Registry Number: 94108-92-6
• EINECS: 302-429-1
• SMILES: C2=C(NC(=O)C1=CC(=CC=C1)NC(=O)C)C=CC5=C2C=C([S](O)(=O)=O)/C(=N/NC4=C(C=C(N=NC3=C(C=C([S](O)(=O)=O)C=C3)C)C=C4)C)C5=O
• InChI: 1S/C33H28N6O9S2/c1-18-13-25(36-37-29-12-9-26(14-19(29)2)49(43,44)45)8-11-28(18)38-39-31-30(50(46,47)48)17-22-16-24(7-10-27(22)32(31)41)35-33(42)21-5-4-6-23(15-21)34-20(3)40/h4-17,38H,1-3H3,(H,34,40)(H,35,42)(H,43,44,45)(H,46,47,48)/b37-36?,39-31-
• InChIKey: QYJQGNMLTKUNNN-QDOBBMHASA-N

Properties

• Density: 1.517g/cm³ (Cal.)