RefChem:83526
trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, trisodium salt|2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]- (sodium salt)|2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, trisodium salt|2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino) -1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[ (4-methoxy-2-sulfophenyl)azo]-, trisodium salt|Trisodium 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate|Trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate|Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate|trisodium,(3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methoxy-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate|trisodium5-[[4-chloro-6- -1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[ azo]naphthalene-2,7-disulphonate
| Molecular Formula | C27H19ClN7Na3O11S3 |
|---|---|
| Molecular Weight | 816.9686 g/mol |
| LogP | -4.9564 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 816.9686 |
| Monoisotopic Mass | 816.9686 |
| Heavy Atoms | 52 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 85631-77-2 |
|---|---|
| SMILES | CN(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)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | ROOXOSRUUHTHSX-UHFFFAOYSA-K |
Product Overview
RefChem:83526 (CAS 85631-77-2), with molecular formula C27H19ClN7Na3O11S3 and molecular weight 816.9686 g/mol. IUPAC: trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.