Basic information
- CAS
71566-42-2- Standard SMILES
O=[N+]([O-])c1ccc(C=Cc2ccc(N=Nc3ccc(-n4nc5ccc6c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc6c5n4)cc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
YVKXGXGUQRONRN-UHFFFAOYSA-J- Molecular formula
- C30H16N6Na4O14S4
- Average molar mass
- 904.7 g/mol
- Monoisotopic mass
- 903.919811
Names & identifiers
- Preferred name
- Tetrasodium;2-[4-[[4-[2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]phenyl]benzo[e]benzotriazole-6,8-disulfonate
- IUPAC
- tetrasodium;2-[4-[[4-[2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]phenyl]benzo[e]benzotriazole-6,8-disulfonate
Database identifiers
- CAS
71566-42-2- PubChem CID
- 166170
- DTXSID
DTXSID7072385
Properties
Computed structural properties
- Topological polar surface area
- 364 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 5
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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