Basic information
- CAS
68540-95-4- Standard SMILES
COc1cc(Cl)c(C)cc1N=C([O-])CC(=O)c1ccc(C(=O)CC([O-])=Nc2cc(C)c(Cl)cc2OC)cc1.[Na+].[Na+]- InChIKey
BIGRTNRWUNESHJ-UHFFFAOYSA-L- Molecular formula
- C28H24Cl2N2Na2O6
- Average molar mass
- 601.4 g/mol
- Monoisotopic mass
- 600.0806804
Names & identifiers
- Preferred name
- 1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-beta1,beta4-dioxo-, ion(2-), sodium (1:2)
- IUPAC
- disodium;N-(4-chloro-2-methoxy-5-methylphenyl)-3-[4-[3-(4-chloro-2-methoxy-5-methylphenyl)imino-3-oxidopropanoyl]phenyl]-3-oxopropanimidate
Names & synonyms
68540-95-4N,N'-Bis(4-chloro-2-methoxy-5-methylphenyl)-beta,beta'-dioxo-1,4-benzenedipropanamide, disodium salt1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-beta,beta'-dioxo-, ion(2-), disodium1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-beta1,beta4-dioxo-, ion(2-), sodium (1:2)RefChem:4162951,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.1,.beta.4-dioxo-, ion(2-), sodium (1:2)BIGRTNRWUNESHJ-UHFFFAOYSA-L1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.,.beta.'-dioxo-, ion(2-), disodium
Database identifiers
- CAS
68540-95-4- PubChem CID
- 110512
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 805
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedipropanamide, N,N'-bis(4-chloro-2-methoxy-5-methylphenyl)-.beta.1,.beta.4-dioxo-, ion(2-), sodium (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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