Methyl 6-(benzenesulphonylmethyl)-3-ethyl-2-hydroxybenzoate
Basic information
- Standard SMILES
CCc1ccc(CS(=O)(=O)c2ccccc2)c(C(=O)OC)c1O- InChIKey
GZJSFHXSPJYTLJ-UHFFFAOYSA-N- Molecular formula
- C17H18O5S
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(benzenesulphonylmethyl)-3-ethyl-2-hydroxybenzoate
- IUPAC
- methyl 6-(benzenesulfonylmethyl)-3-ethyl-2-hydroxybenzoate
Names & synonyms
SCHEMBL1648311GZJSFHXSPJYTLJ-UHFFFAOYSA-Nmethyl 6-(benzenesulphonylmethyl)-3-ethyl-2-hydroxybenzoate
Database identifiers
- PubChem CID
- 67107635
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Related reactions
3 records
Compound notes
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