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| Related CAS: | 3453-83-6 (anhydrous) |
| IUPAC Name: | 2,4,6-trimethylbenzenesulfonic acid;dihydrate |
| Description: | 2-Mesitylenesulfonic acid dihydrate (CAS# 835617-36-2) is one of the alkaloids the ladybug secretes as a defense mechanism against predators. |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C9H16O5S |
| Canonical SMILES: | CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.O.O |
| InChI: | InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2 |
| InChI Key: | LIKWMDGAWXCECN-UHFFFAOYSA-N |
| Purity: | ≥95% |
| Appearance: | White solid |
| MDL: | MFCD00149535 |
| LogP: | 2.64340 |
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