5-[[4-Chloro-6-[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid
[CAS# 93942-65-5]

Identification

• Name: 5-[[4-Chloro-6-[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid
• Synonyms: (3E)-5-[[4-Chloro-6-[[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Oxo-3-[(2-Sulfophenyl)Hydrazono]Naphthalene-2,7-Disulfonic Acid; (3E)-5-[[4-Chloro-6-[[5-[[4-Chloro-6-[(3-Sulfophenyl)Am
• Molecular Formula: C₃₄H₂₄Cl₂N₁₂O₁₆S₅
• Molecular Weight: 1087.84
• CAS Registry Number: 93942-65-5
• EINECS: 300-619-9
• SMILES: C5=C([S](O)(=O)=O)C=C(NC1=NC(=NC(=N1)NC2=C([S](O)(=O)=O)C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S](O)(=O)=O)Cl)Cl)C7=C5C=C([S](O)(=O)=O)/C(=N/NC6=CC=CC=C6[S](O)(=O)=O)C7=O
• InChI: 1S/C34H24Cl2N12O16S5/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58/h1-14,47H,(H,5
• InChIKey: MBPSQNSHWISFNQ-IZEKYJKFSA-N

Properties

• Density: 2.024g/cm³ (Cal.)