Basic information
- Standard SMILES
Cc1cc(C)c(S(=O)(=O)O)c(C)c1.O.O- InChIKey
LIKWMDGAWXCECN-UHFFFAOYSA-N- Molecular formula
- C9H16O5S
- Average molar mass
- 236.29 g/mol
Names & identifiers
- Preferred name
- 2-Mesitylenesulfonic acid dihydrate
- IUPAC
- 2,4,6-trimethylbenzenesulfonic acid;dihydrate
Names & synonyms
2-Mesitylenesulfonic acid dihydrate2,4,6-Trimethylbenzenesulfonic acid dihydrateMesitylenesulfonic acid dihydrate2,4,6-trimethylbenzenesulfonic acid;dihydrateMFCD00149535Benzenesulfonic acid, 2,4,6-trimethyl-, dihydrateSCHEMBL458685LIKWMDGAWXCECN-UHFFFAOYSA-NAKOS0158553872-Mesitylenesulfonic acid dihydrate, 97%AS-881472,4,6-Trimethylbenzenesulfonicaciddihydrate
Show more names
DB-293197CS-0456081ST50825855C93514F7762582,4,6-trimethylbenzenesulfonic acid, oxamethane, oxamethane
Database identifiers
- PubChem CID
- 15620344
Properties
Computed structural properties
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
11 records
Compound notes
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