Sodium 6,8-dichloro-7-(4-(4-chlorophenethylcarbamoyl)phenoxy)chroman-4-carboxylate

HCID 44599586

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

Related reactions

3 records

Compound notes

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