5-(Benzoylamino)-3-[[4-[[4-Chloro-6-[(4-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
[CAS# 15623-66-2]

Identification

• Name: 5-(Benzoylamino)-3-[[4-[[4-Chloro-6-[(4-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
• Synonyms: (3E)-5-(Benzoylamino)-3-[[4-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3E)-3-[[4-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Hydrazono]-4-Oxo-5-[(Oxo-Phenylmethyl)Amino]Naphthalene-2,7-Disulfonic Acid; (3E)-5-(Benzoylamino)-3-[[4-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₃₂H₂₃ClN₈O₁₄S₄
• Molecular Weight: 907.27
• CAS Registry Number: 15623-66-2
• EINECS: 239-699-4
• SMILES: C2=C([S](O)(=O)=O)C=C(NC(=O)C1=CC=CC=C1)C6=C2C=C([S](O)(=O)=O)/C(=N/NC5=C([S](O)(=O)=O)C=C(NC3=NC(=NC(=N3)NC4=CC=C([S](O)(=O)=O)C=C4)Cl)C=C5)C6=O
• InChI: 1S/C32H23ClN8O14S4/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-22(24(14-19)58(50,51)52)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16/h1-15,40H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39)/b41-27-
• InChIKey: SQSWXVDBEHCYMB-CBALNBDPSA-N

Properties

• Density: 1.866g/cm³ (Cal.)