C.I. Direct Red 11
4-[[4-chloro-6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methylphenyl)diazenyl]-7-sulfooxysulfonylnaphthalene-2-sulfonic acid
Also Known As: C.I. Direct Red 11|Diphenyl Brill Pink 3B|2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-(6-methyl-2-benzothiazolyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methylphenyl)azo)-, monosulfo deriv.|5-((4-Chloro-6-(4-(6-methylbenzothiazol-2-yl)anilino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(p-tolylazo)naphthalene-2,7-disulphonic acid, monosulpho derivative
| Molecular Formula | C34H25ClN8O10S4 |
|---|---|
| Molecular Weight | 868.0265 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 868.0265 |
| Monoisotopic Mass | 868.0265 |
| Heavy Atoms | 57 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 69013-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)OS(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)C6=NC7=C(S6)C=C(C=C7)C)Cl)O |
| InChIKey | KQKCBTPRNKSWPJ-UHFFFAOYSA-N |
Product Overview
C.I. Direct Red 11 (CAS 69013-32-7), with molecular formula C34H25ClN8O10S4 and molecular weight 868.0265 g/mol. IUPAC: 4-[[4-chloro-6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methylphenyl)diazenyl]-7-sulfooxysulfonylnaphthalene-2-sulfonic acid.
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