Basic information
- CAS
68556-15-0- Standard SMILES
COc1cc(OC)c(NC(=O)C=C([O-])c2ccc(C([O-])=CC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)cc1Cl.[Na+].[Na+]- InChIKey
LTFHLPGJJNSFHC-UHFFFAOYSA-L- Molecular formula
- C28H24Cl2N2Na2O8
- Average molar mass
- 633.4 g/mol
- Monoisotopic mass
- 632.0705097
Names & identifiers
- Preferred name
- Disodium;3-(5-chloro-2,4-dimethoxyanilino)-1-[4-[3-(5-chloro-2,4-dimethoxyanilino)-1-oxido-3-oxoprop-1-enyl]phenyl]-3-oxoprop-1-en-1-olate
- IUPAC
- disodium;3-(5-chloro-2,4-dimethoxyanilino)-1-[4-[3-(5-chloro-2,4-dimethoxyanilino)-1-oxido-3-oxoprop-1-enyl]phenyl]-3-oxoprop-1-en-1-olate
Database identifiers
- CAS
68556-15-0- PubChem CID
- 110583
- DTXSID
DTXSID9071686
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 839
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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