Basic information
- CAS
25329-82-2- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6ccccc56)cc4)cc3)c(S(=O)(=O)O)cc2c1- InChIKey
LMKBZNJJQISXRN-UHFFFAOYSA-N- Molecular formula
- C32H22N4O11S3
- Average molar mass
- 734.7 g/mol
- Monoisotopic mass
- 734.04472105
Names & identifiers
- Preferred name
- C.I. Direct Violet 22
- IUPAC
- 8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Names & synonyms
C.I. Direct Violet 22DTXSID5086382425329-82-28-Hydroxy-7-({4'-[(2-hydroxynaphthalen-1-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)naphthalene-1,3,6-trisulfonic acid
Database identifiers
- CAS
25329-82-2- PubChem CID
- 103258
- DTXSID
DTXSID50863824- EC Number
- 607-699-7
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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