Basic information
- Standard SMILES
CCOC(=O)Oc1ccc(/C=C(\C)c2ccc3c(c2)SC(C)(C)S3)cc1- InChIKey
KBEZROBOOGQCKH-WYMLVPIESA-N- Molecular formula
- C21H22O3S2
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- ethyl p-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)propenyl]phenyl carbonate
- IUPAC
- [4-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)prop-1-enyl]phenyl] ethyl carbonate
Names & synonyms
SCHEMBL9141417KBEZROBOOGQCKH-WYMLVPIESA-Nethyl p-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)propenyl]phenyl carbonate
Database identifiers
- PubChem CID
- 19935517
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
4 records
Compound notes
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