Basic information
- Standard SMILES
O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(Oc2cc3c(cc2Cl)C(C(=O)[O-])CCO3)cc1.[Na+]- InChIKey
SYESZHWIAQUJQD-UHFFFAOYSA-M- Molecular formula
- C25H19Cl3NNaO5
- Average molar mass
- 542.8 g/mol
- Monoisotopic mass
- 541.02265
Names & identifiers
- Preferred name
- Sodium 6-chloro-7-(4-(2,4-dichlorophenethylcarbamoyl)-phenoxy)chroman-4-carboxylate
- IUPAC
- sodium 6-chloro-7-[4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
sodium 6-chloro-7-(4-(2,4-dichlorophenethylcarbamoyl)-phenoxy)chroman-4-carboxylateSCHEMBL1570090SYESZHWIAQUJQD-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 44600549
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
- 711
Related reactions
3 records
Compound notes
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