Basic information
- CAS
72749-81-6- Standard SMILES
Cc1cc(C)c(S(=O)(=O)[O-])cc1N=Nc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(O)cc1O.[Na+].[Na+]- InChIKey
WDCXWWZKWNFEKH-UHFFFAOYSA-L- Molecular formula
- C20H16N4Na2O8S2
- Average molar mass
- 550.5 g/mol
- Monoisotopic mass
- 550.02049439
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,4-dimethyl-, sodium salt (1:2)
- IUPAC
- disodium;5-[[2,4-dihydroxy-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2,4-dimethylbenzenesulfonate
- English name
- Benzenesulfonic acid, 5-[[2,4-dihydroxy-5-[(4-sulfophenyl) azo]phenyl]azo]-2,4-dimethyl-, disodium salt
- Molecular formula
- C20H18N4O8S2.2Na
- Molecular weight
- 552.5
Names & synonyms
72749-81-6DTXSID80890244Benzenesulfonic acid, 5-((2,4-dihydroxy-5-((4-sulfophenyl)azo)phenyl)azo)-2,4-dimethyl-, disodium salt2,4-Dimethyl-5-((5-((4-sulfophenyl)azo)-2,4-dihydroxyphenyl)azo)benzenesulfonic acid, disodium saltBenzenesulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,4-dimethyl-, sodium salt (1:2)Benzenesulfonic acid, 5-[[2,4-dihydroxy-5-[(4-sulfophenyl)azo]phenyl]azo]-2,4-dimethyl-, disodium saltBenzenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,4-dimethyl-, sodium salt (1:2)RefChem:118024DTXCID201079183Disodium 5-({2,4-dihydroxy-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-2,4-dimethylbenzene-1-sulfonate5-[[2,4-Dihydroxy-5-[(4-sulfophenyl)azo]phenyl]azo]-2,4-dimethylbenzenesulfonic acid disodium saltBenzenesulfonic acid, 5-[[2,4-dihydroxy-5-[(4-sulfophenyl) azo]phenyl]azo]-2,4-dimethyl-, disodium salt
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 927
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-[[2,4-dihydroxy-5-[(4-sulfophenyl)azo]phenyl]azo]-2,4-dimethyl-, disodium salt (72749-81-6)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,4-dimethyl-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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