Basic information
- CAS
17895-45-3- Standard SMILES
Nc1c(N=Nc2ccc(S(=O)(=O)O)cc2)cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(N)c1N=Nc1ccc(S(=O)(=O)O)cc1- InChIKey
REBCXGWJUSDORQ-UHFFFAOYSA-N- Molecular formula
- C24H20N8O9S3
- Average molar mass
- 660.7 g/mol
- Monoisotopic mass
- 660.05153777
Names & identifiers
- Preferred name
- 4,4',4''-((2,4-Diaminobenzene-1,3,5-triyl)tris(azo))tris(benzenesulphonic) acid
- IUPAC
- 4-[[2,4-diamino-3,5-bis[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
17895-45-3EINECS 241-839-44,4',4''-((2,4-Diaminobenzene-1,3,5-triyl)tris(azo))tris(benzenesulphonic) acidMVL7GQG5AAREBCXGWJUSDORQ-UHFFFAOYSA-NDTXSID401040172NS00051734Benzenesulfonic acid, 4,4',4''-[(2,4-diamino-s-phenenyl)tris(azo)]tri-4,4',4''-[(2,4-Diamino-1,3,5-benzenetriyl)tris(azo)]trisbenzenesulfonic acidBenzenesulfonic acid, 4,4',4''-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]tris-Benzenesulfonic acid, 4,4',4''-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]tris- (9CI)
Database identifiers
- CAS
17895-45-3- PubChem CID
- 87356
- DTXSID
DTXSID401040172- UNII
- MVL7GQG5AA
- EC Number
- 241-839-4
- Nikkaji
- J260.785I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 314 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…