Basic information
- CAS
94166-70-8- Standard SMILES
O=[N+]([O-])c1cc(N=Nc2c(O)ccc3ccccc23)c(O)c(S(=O)(=O)O)c1.[Na]- InChIKey
BTDRHKFXZMTNQP-UHFFFAOYSA-N- Molecular formula
- C16H11N3NaO7S
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 412.02154015
Names & identifiers
- Preferred name
- CID 136405251
Names & synonyms
BTDRHKFXZMTNQP-UHFFFAOYSA-N
Database identifiers
- CAS
94166-70-8- PubChem CID
- 136405251
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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