Basic information
- Standard SMILES
CCOC(=O)c1ccc(C=Cc2ccc3c(c2)C(SCC)=CCC3(C)C)cc1- InChIKey
MXTDHANJNQSWEA-UHFFFAOYSA-N- Molecular formula
- C25H28O2S
- Average molar mass
- 392.6 g/mol
Names & identifiers
- Preferred name
- ethyl 4-[2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate
- IUPAC
- ethyl 4-[2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate
Database identifiers
- PubChem CID
- 54096906
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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