Basic information
- CAS
52469-76-8- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5O)cc4)cc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]- InChIKey
YBDCRIBGAOBGMN-UHFFFAOYSA-K- Molecular formula
- C32H21N8Na3O11S3
- Average molar mass
- 858.7 g/mol
- Monoisotopic mass
- 858.01849988
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)
- IUPAC
- trisodium;5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- trisodium 5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
- Molecular formula
- C32H21N8Na3O11S3
- Molecular weight
- 858.72045
Names & synonyms
52469-76-8EINECS 257-939-62,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-amino-3-((4-((4-((6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4-(2-(4-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)RefChem:446418DTXSID8068757EINECS 257-967-9NS000579352,7-Naphthalenedisulfonic acid, 5-amino-3-((4-((4-((6(or 7)-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt52499-86-2
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Properties
Computed structural properties
- Topological polar surface area
- 363 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,680
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt (52469-76-8)
- 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 Information2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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