Cibacron Brilliant Red 3B-A
5-benzamido-3-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
| Molecular Formula | C32H23ClN8O14S4 |
|---|---|
| Molecular Weight | 907.3 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 388.0 A2 |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 905.99054 |
| Heavy Atoms | 59 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 16480-43-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ZWONWYNZSWOYQC-UHFFFAOYSA-N |
📖 Product Overview
Cibacron Brilliant Red 3B-A (CAS: 16480-43-6) is a chemical compound with molecular formula C32H23ClN8O14S4 and molecular weight 907.3 g/mol. Its IUPAC systematic name is 5-benzamido-3-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
ZWONWYNZSWOYQC-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O.
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