DIRECT BLUE 15
tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
| Molecular Formula | C34H24N6Na4O16S4 |
|---|---|
| Molecular Weight | 992.8 g/mol |
| Topological Polar Surface Area | 423.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 7 |
| Exact Mass | 991.9722 |
| Heavy Atoms | 64 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 2429-74-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | OLSOUGWNONTDCK-UHFFFAOYSA-J |
📖 Product Overview
DIRECT BLUE 15 (CAS: 2429-74-5) is a chemical compound with molecular formula C34H24N6Na4O16S4 and molecular weight 992.8 g/mol. Its IUPAC systematic name is tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
OLSOUGWNONTDCK-UHFFFAOYSA-J.
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].
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