2-Mesitylenesulfonic acid dihydrate

HCID 15620344

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

Related reactions

11 records

Compound notes

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