Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
| Molecular Formula | C28H21ClN7Na3O10S3 |
|---|---|
| Molecular Weight | 816.1 g/mol |
| Topological Polar Surface Area | 296.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 814.9894 |
| Heavy Atoms | 52 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 73816-74-7 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=C(C=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | KAAYWWJCOOCCSJ-UHFFFAOYSA-K |
📖 Product Overview
Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate (CAS: 73816-74-7) is a chemical compound with molecular formula C28H21ClN7Na3O10S3 and molecular weight 816.1 g/mol. Its IUPAC systematic name is trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
KAAYWWJCOOCCSJ-UHFFFAOYSA-K.
SMILES: CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=C(C=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].
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