Basic information
- CAS
72828-84-3- Standard SMILES
Cc1ccc(N=Nc2ccc(NC(=O)Nc3ccc(N=Nc4ccc(C)c(S(=O)(=O)[O-])c4)c(NC(=O)CO)c3)cc2NC(=O)CO)cc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
WAVGRKLQEQPBFA-UHFFFAOYSA-L- Molecular formula
- C31H28N8Na2O11S2
- Average molar mass
- 798.7 g/mol
- Monoisotopic mass
- 798.11143465
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,3'-(carbonylbis(imino(2-((2-hydroxyacetyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis(6-methyl-, sodium salt (1:2)
- IUPAC
- disodium;5-[[2-[(2-hydroxyacetyl)amino]-4-[[3-[(2-hydroxyacetyl)amino]-4-[(4-methyl-3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-methylbenzenesulfonate
- English name
- disodium 4,4'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[toluene-2-sulphonate]
- Molecular formula
- C31H31N8NaO11S2
- Molecular weight
- 778.74
Names & synonyms
EINECS 276-891-7Benzenesulfonic acid, 3,3'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[6-methyl-, disodium saltDTXSID3072610Benzenesulfonic acid, 3,3'-(carbonylbis(imino(2-((2-hydroxyacetyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis(6-methyl-, sodium salt (1:2)Benzenesulfonic acid, 3,3'-(carbonylbis(imino(2-((2-hydroxyacetyl)amino)-4,1-phenylene)azo))bis(6-methyl-, disodium saltBenzenesulfonic acid, 3,3'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis[6-methyl-, sodium salt (1:2)RefChem:564229DTXCID204735972828-84-3Benzenesulfonic acid,3,3'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis[6-methyl-,sodium salt (1:2)NS00062698Disodium 3,3'-(carbonylbis{azanediyl[2-(2-hydroxyacetamido)-4,1-phenylene]diazene-2,1-diyl})bis(6-methylbenzene-1-sulfonate)
Show more names
disodium 4,4'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[toluene-2-sulphonate]
Properties
Computed structural properties
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,380
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,3'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[6-methyl-, disodium salt (72828-84-3)
- 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.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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