Direct Blue 71
tetrasodium;3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
| Molecular Formula | C40H23N7Na4O13S4 |
|---|---|
| Molecular Weight | 1029.9 g/mol |
| Topological Polar Surface Area | 383.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 1028.9828 |
| Heavy Atoms | 68 |
| Complexity | 2160.0 |
Chemical Identifiers
| CAS Number | 4399-55-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=C8C=C(C=CC8=C7O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | QTTDXDAWQMDLOF-UHFFFAOYSA-J |
📖 Product Overview
Direct Blue 71 (CAS: 4399-55-7) is a chemical compound with molecular formula C40H23N7Na4O13S4 and molecular weight 1029.9 g/mol. Its IUPAC systematic name is tetrasodium;3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate.
QTTDXDAWQMDLOF-UHFFFAOYSA-J.
SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=C8C=C(C=CC8=C7O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].
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