Basic information
- Standard SMILES
CCOC(=O)CCCC(OC(=O)Oc1ccccc1)C(=O)c1ccc(Cl)s1- InChIKey
MMNXLHOOIABINZ-UHFFFAOYSA-N- Molecular formula
- C19H19ClO6S
- Average molar mass
- 410.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-(5-chloro-2-thienyl)-6-oxo-5-phenoxycarbonyloxyhexanoate
- IUPAC
- ethyl 6-(5-chlorothiophen-2-yl)-6-oxo-5-phenoxycarbonyloxyhexanoate
Names & synonyms
SCHEMBL1362575MMNXLHOOIABINZ-UHFFFAOYSA-Nethyl 6-(5-chloro-2-thienyl)-6-oxo-5-phenoxycarbonyloxyhexanoate
Database identifiers
- PubChem CID
- 18174743
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
6 records
Compound notes
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