Basic information
- Standard SMILES
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1.O.O.O.[Mg+2]- InChIKey
ZYRALYWOEIBCNX-UHFFFAOYSA-L- Molecular formula
- C30H30MgN2O9
- Average molar mass
- 586.9 g/mol
- Monoisotopic mass
- 586.1801722
Names & identifiers
- Preferred name
- Magnesium;bis(2-(2-amino-3-benzoylphenyl)acetate);trihydrate
- IUPAC
- magnesium;bis(2-(2-amino-3-benzoylphenyl)acetate);trihydrate
Database identifiers
- PubChem CID
- 12901240
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 745
Related reactions
3 records
Compound notes
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