Basic information
- Standard SMILES
Cc1cc(O)cc(OS(=O)(=O)c2ccccc2)c1- InChIKey
OZBVDDAMTVGSEO-UHFFFAOYSA-N- Molecular formula
- C13H12O4S
- Average molar mass
- 264.3 g/mol
Names & identifiers
- Preferred name
- Benzenesulfonic acid 3-hydroxy-5-methylphenyl ester
- IUPAC
- (3-hydroxy-5-methylphenyl) benzenesulfonate
Names & synonyms
SCHEMBL5866138OZBVDDAMTVGSEO-UHFFFAOYSA-Nbenzenesulfonic acid 3-hydroxy-5-methylphenyl esterbenzenesulfonic acid-3-hydroxy-5-methyl-phenyl ester
Database identifiers
- PubChem CID
- 11054545
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
4 records
Compound notes
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