Basic information
- CAS
7082-31-7- Standard SMILES
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4ccc(N=Nc5cc(S(=O)(=O)[O-])c6cccc(O)c6c5O)cc4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(O)c2c1O.[Na+].[Na+].[Na+]- InChIKey
CGQMHDASYXSVPF-UHFFFAOYSA-K- Molecular formula
- C44H29N6Na3O14S3
- Average molar mass
- 1,030.9 g/mol
- Monoisotopic mass
- 1,030.05969599
Names & identifiers
- Preferred name
- C.I. Direct Blue 26
- IUPAC
- trisodium;3-[[7-[[4-[4-[(1,8-dihydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4,5-dihydroxynaphthalene-1-sulfonate
Names & synonyms
7082-31-7C.I. Direct Blue 26Direct Blue 26, trisodium saltDTXSID1010237011-Naphthalenesulfonic acid, 3-((7-((4'-((1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl (1,1'-biphenyl)-4-yl)azo)-8-hydroxy-6-sulfo-2-naphthalenyl)azo)-4,5-dihydroxy-, trisodium salt
Database identifiers
- CAS
7082-31-7- PubChem CID
- 3045277
- DTXSID
DTXSID101023701- EC Number
- 615-175-4
Properties
Computed structural properties
- Topological polar surface area
- 372 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 7
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 2,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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