Basic information
- CAS
85851-56-5- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2cc(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(N=Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c(N=Nc5ccc([N+](=O)[O-])cc5)c(O)c34)c2O)cc1.[Na+].[Na+].[Na+]- InChIKey
OLWYNQQCANTKHN-UHFFFAOYSA-K- Molecular formula
- C38H21N10Na3O16S3
- Average molar mass
- 1,038.8 g/mol
- Monoisotopic mass
- 1,037.99922099
Names & identifiers
- Preferred name
- Trisodium 5-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonate
- IUPAC
- trisodium;5-[[2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
- English name
- trisodium 5-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonato-1-naphthyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate
- Molecular formula
- C38H21N10Na3O16S3
- Molecular weight
- 1038.79505
Names & synonyms
85851-56-5EINECS 288-616-8Trisodium 5-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-4-hydroxy-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonateDTXSID401361667NS000651732,7-Naphthalenedisulfonic acid, 5-[2-[2,6-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]-5-[2-(4-sulfo-1-naphthalenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:3)trisodium 5-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonato-1-naphthyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate5-[[2,6-Dihydroxy-3-[(4-nitrophenyl)azo]-5-[[4-[(sodiooxy)sulfonyl]-1-naphthalenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-2,7-naphthalenedisulfonic acid disodium salt
Database identifiers
- CAS
85851-56-5- PubChem CID
- 135854079
- DTXSID
DTXSID401361667- EC Number
- 288-616-8
Properties
Computed structural properties
- Topological polar surface area
- 448 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 8
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 2,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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