C.I. Direct Yellow 50, tetrasodium salt
tetrasodium;3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
| Molecular Formula | C35H24N6Na4O13S4 |
|---|---|
| Molecular Weight | 956.8 g/mol |
| Topological Polar Surface Area | 353.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 955.9875 |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 3214-47-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C)N=NC5=CC6=C(C=CC=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XRFRTDKENRGSSX-UHFFFAOYSA-J |
📖 Product Overview
C.I. Direct Yellow 50, tetrasodium salt (CAS: 3214-47-9) is a chemical compound with molecular formula C35H24N6Na4O13S4 and molecular weight 956.8 g/mol. Its IUPAC systematic name is tetrasodium;3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate.
XRFRTDKENRGSSX-UHFFFAOYSA-J.
SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C)N=NC5=CC6=C(C=CC=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].
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