Basic information
- CAS
70247-69-7- Standard SMILES
COc1cc(-c2ccc(NC(=O)c3ccc(N=Nc4c(O)cc(S(=O)(=O)[O-])c5ccccc45)c(O)c3)c(OC)c2)ccc1NC(=O)c1ccc(N=Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc23)c(O)c1.[Na+].[Na+]- InChIKey
HSUWQXUFFFBTQL-UHFFFAOYSA-L- Molecular formula
- C48H34N6Na2O14S2
- Average molar mass
- 1,028.9 g/mol
- Monoisotopic mass
- 1,028.13698069
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)-2,1-diazenediyl]]bis[3-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;3-hydroxy-4-[[2-hydroxy-4-[[4-[4-[[3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonate
- English name
- disodium 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis(3-hydroxynaphthalene-1-sulphonate)
- Molecular formula
- C48H34N6Na2O14S2
- Molecular weight
- 1028.9249
Names & synonyms
DTXSID508900741-Naphthalenesulfonic acid, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(iminocarbonyl(2-hydroxy-4,1-phenylene)-2,1-diazenediyl))bis(3-hydroxy-, sodium salt (1:2)1-Naphthalenesulfonic acid, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(iminocarbonyl(2-hydroxy-4,1-phenylene)azo))bis(3-hydroxy-, disodium salt1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)-2,1-diazenediyl]]bis[3-hydroxy-, sodium salt (1:2)1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis[3-hydroxy-, disodium saltRefChem:434860DTXCID20102932670247-69-7EINECS 274-498-5Disodium 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(iminocarbonyl(2-hydroxy-4,1-phenylene)azo))bis(3-hydroxynaphthalene-1-sulphonate)NS00062952Disodium 4,4'-{(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[carbamoyl(2-hydroxy-4,1-phenylene)diazene-2,1-diyl]}bis(3-hydroxynaphthalene-1-sulfonate)
Properties
Computed structural properties
- Topological polar surface area
- 338 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,910
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis[3-hydroxy-, disodium salt (70247-69-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis[3-hydroxy-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenesulfonic acid, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)-2,1-diazenediyl]]bis[3-hydroxy-, sodium salt (1:2): INACTIVE
Related reactions
0 records
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Compound notes
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