Basic information
- CAS
72829-40-4- Standard SMILES
NC(=O)Nc1cc(NC(=O)Nc2ccc(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(NC(N)=O)c2)ccc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
XUWJQQLWBONKLM-UHFFFAOYSA-J- Molecular formula
- C39H28N14Na4O15S4
- Average molar mass
- 1,153 g/mol
- Monoisotopic mass
- 1,152.0332181
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;2-[[2-(carbamoylamino)-4-[[3-(carbamoylamino)-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
- English name
- tetrasodium 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]
- Molecular formula
- C39H28N14Na4O15S4
- Molecular weight
- 1152.9435
Names & synonyms
72829-40-4EINECS 276-921-9DTXSID70890298Benzenesulfonic acid, 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis(5-((4-sulfophenyl)azo)-, tetrasodium salt5,5'-(Carbonyldiimino)bis(N-carbamyl-2-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo))benzeneamineBenzenesulfonic acid, 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis(5-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:4)Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium saltRefChem:117784DTXCID701079233NS00061092Tetrasodium 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis(5-((4-sulphonatophenyl)azo)benzenesulphonate)
Properties
Computed structural properties
- Topological polar surface area
- 513 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 12
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 2,250
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium salt (72829-40-4)
- 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: Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium salt
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium salt: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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