Basic information
- Standard SMILES
O=C(O)CCC(CC=Cc1cccc(Cl)c1)(C(=O)C=Cc1ccc(Cl)cc1)c1ccccc1- InChIKey
ADCVTJWJFHCNIG-UHFFFAOYSA-N- Molecular formula
- C28H24Cl2O3
- Average molar mass
- 479.4 g/mol
Names & identifiers
- Preferred name
- 4-(m-Chlorocinnamyl)-4-phenyl-5-oxo-7-(p-chlorophenyl)-6-heptenoic Acid
- IUPAC
- 7-(4-chlorophenyl)-4-[3-(3-chlorophenyl)prop-2-enyl]-5-oxo-4-phenylhept-6-enoic acid
Names & synonyms
SCHEMBL11800929ADCVTJWJFHCNIG-UHFFFAOYSA-N4-(m- Chlorocinnamyl)-4-phenyl-5-oxo-7-(p-chlorophenyl)-6-heptenoic Acid
Database identifiers
- PubChem CID
- 53636622
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Related reactions
1 records
Compound notes
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