ethyl 4-[2-[8-(1,3-dithian-2-yl)-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]ethenyl]benzoate
Basic information
- Standard SMILES
CCOC(=O)c1ccc(C=Cc2ccc3c(c2)C(C2SCCCS2)CCC3(C)C)cc1- InChIKey
UVKYJPVSIBFVAR-UHFFFAOYSA-N- Molecular formula
- C27H32O2S2
- Average molar mass
- 452.7 g/mol
Names & identifiers
- Preferred name
- ethyl 4-[2-[8-(1,3-dithian-2-yl)-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]ethenyl]benzoate
- IUPAC
- ethyl 4-[2-[8-(1,3-dithian-2-yl)-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]ethenyl]benzoate
Database identifiers
- PubChem CID
- 54374360
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
Loading…