5-[4-[4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-7-Sulfonaphthalen-1-Yl]Diazenyl-2,5-Dimethylphenyl]Diazenylnaphthalene-1,3,6-Trisulfonic Acid
[CAS# 3445-91-8]

Identification

• Name: 5-[4-[4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-7-Sulfonaphthalen-1-Yl]Diazenyl-2,5-Dimethylphenyl]Diazenylnaphthalene-1,3,6-Trisulfonic Acid
• Synonyms: 5-[4-[[4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-7-Sulfo-1-Naphthyl]Azo]-2,5-Dimethyl-Phenyl]Azonaphthalene-1,3,6-Trisulfonic Acid; 5-[4-[[4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-7-Sulfo-1-Naphthyl]Azo]-2,5-Dimethylphenyl]Azonaphthalene-1,3,6-Trisulfonic Acid; 5-[4-[[4-[(4-Amino-6-Chloro-S-Triazin-2-Yl)Amino]-7-Sulfo-1-Naphthyl]Azo]-2,5-Dimethyl-Phenyl]Azonaphthalene-1,3,6-Trisulfonic Acid
• Molecular Formula: C₃₁H₂₄ClN₉O₁₂S₄
• Molecular Weight: 878.28
• CAS Registry Number: 3445-91-8
• EINECS: 222-363-6
• SMILES: C1=C2C(=C([S](O)(=O)=O)C=C1[S](O)(=O)=O)C=CC(=C2N=NC6=CC(=C(N=NC4=C5C(=C(NC3=NC(=NC(=N3)Cl)N)C=C4)C=CC(=C5)[S](O)(=O)=O)C=C6C)C)[S](O)(=O)=O
• InChI: 1S/C31H24ClN9O12S4/c1-14-10-25(40-41-28-21-12-17(55(45,46)47)13-27(57(51,52)53)19(21)5-8-26(28)56(48,49)50)15(2)9-24(14)39-38-23-7-6-22(34-31-36-29(32)35-30(33)37-31)18-4-3-16(11-20(18)23)54(42,43)44/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,33,34,35,36,37)
• InChIKey: DPKBPTNQYASJMZ-UHFFFAOYSA-N

Properties

• Density: 1.866g/cm³ (Cal.)