Basic information
- Standard SMILES
CS(=O)C1=CC(O)(CCCCOc2ccccc2)C(=CC=CC(O)CCCO)C1=O- InChIKey
BRLQONSTWDAFKQ-UHFFFAOYSA-N- Molecular formula
- C23H30O6S
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- 5-(4,7-Dihydroxyhept-2-enylidene)-4-hydroxy-2-methylsulfinyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
- IUPAC
- 5-(4,7-dihydroxyhept-2-enylidene)-4-hydroxy-2-methylsulfinyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one
Names & synonyms
SCHEMBL9546387
Database identifiers
- PubChem CID
- 53697307
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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