Basic information
- Standard SMILES
O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cc3c(c2Cl)OCCC3C(=O)[O-])cc1.[Na+]- InChIKey
PAEMRSPWNGYZOH-UHFFFAOYSA-M- Molecular formula
- C25H19Cl3NNaO5
- Average molar mass
- 542.8 g/mol
Names & identifiers
- Preferred name
- Sodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylate
- IUPAC
- sodium 6,8-dichloro-7-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
sodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylateSCHEMBL1569987PAEMRSPWNGYZOH-UHFFFAOYSA-Msodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl) phenoxy)chroman-4-carboxylate
Database identifiers
- PubChem CID
- 44599586
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 703
Related reactions
3 records
Compound notes
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