Basic information
- CAS
18031-82-8- Standard SMILES
O=S(=O)(O)c1cccc2ccc(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6cccc(S(=O)(=O)O)c56)cc4)cc3)c12- InChIKey
WVLWRJCONHBLOT-UHFFFAOYSA-N- Molecular formula
- C32H22N4O8S2
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.08790602
Names & identifiers
- Preferred name
- 8,8'-[[1,1'-Biphenyl]-4,4'-diylbis(diazene-2,1-diyl)]bis(7-hydroxynaphthalene-1-sulfonic acid)
- IUPAC
- 7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
DTXSID3086289518031-82-88,8'-[[1,1'-Biphenyl]-4,4'-diylbis(diazene-2,1-diyl)]bis(7-hydroxynaphthalene-1-sulfonic acid)
Database identifiers
- CAS
18031-82-8- PubChem CID
- 75310
- DTXSID
DTXSID30862895- EC Number
- 605-887-3
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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