Trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate
Basic information
- CAS
85828-84-8- Standard SMILES
O=C([O-])COc1cc(OCC(=O)[O-])c2c(=O)c(-c3ccccc3)c(C(=O)[O-])oc2c1.[Na+].[Na+].[Na+]- InChIKey
NSKNHTAJJIDYDB-UHFFFAOYSA-K- Molecular formula
- C20H11Na3O10
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 480.00452939
Names & identifiers
- Preferred name
- Trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate
- IUPAC
- trisodium;5,7-bis(carboxylatomethoxy)-4-oxo-3-phenylchromene-2-carboxylate
Names & synonyms
85828-84-8EINECS 288-611-0Trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylateDTXSID101006410RefChem:192163DTXCID801433280288-611-0NS00066373
Database identifiers
- CAS
85828-84-8- PubChem CID
- 16205641
- DTXSID
DTXSID101006410- EC Number
- 288-611-0
- Nikkaji
- J310.878C
Properties
Computed structural properties
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 719
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Compound notes
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