C.I. Direct Black 80
trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
| Molecular Formula | C36H23N8Na3O11S3 |
|---|---|
| Molecular Weight | 908.8 g/mol |
| Topological Polar Surface Area | 363.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 908.0342 |
| Heavy Atoms | 61 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 39384-51-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-])N=NC4=C(C=C5C=CC(=CC5=C4O)N=NC6=C(C=C7C=CC(=CC7=C6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | ZHFRUBUQJRJWPO-UHFFFAOYSA-K |
📖 Product Overview
C.I. Direct Black 80 (CAS: 39384-51-5) is a chemical compound with molecular formula C36H23N8Na3O11S3 and molecular weight 908.8 g/mol. Its IUPAC systematic name is trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
ZHFRUBUQJRJWPO-UHFFFAOYSA-K.
SMILES: C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-])N=NC4=C(C=C5C=CC(=CC5=C4O)N=NC6=C(C=C7C=CC(=CC7=C6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].
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