Basic information
- Standard SMILES
COc1cc(CCOS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O- InChIKey
YDBVZXGIWIUBBA-UHFFFAOYSA-N- Molecular formula
- C18H20O6S
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl acetate
- IUPAC
- [2-methoxy-4-[2-(4-methylphenyl)sulfonyloxyethyl]phenyl] acetate
Names & synonyms
SCHEMBL2352786YDBVZXGIWIUBBA-UHFFFAOYSA-N2-methoxy-4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl acetate
Database identifiers
- PubChem CID
- 86657397
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
4 records
Compound notes
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