basic_info |
|
| Product_Name: | 3-[(METHYLSULFANYL)METHYL]BENZOIC ACID |
| CAS: | 54293-10-6 |
| EnglishSynonyms: | 3-[(METHYLSULFANYL)METHYL]BENZOIC ACID ; 3-[(METHYLTHIO)METHYL]BENZOIC ACID |
| pro_mdlNumber: | MFCD06655776 |
| pro_acceptors: | 2 |
| pro_donors: | 1 |
| pro_smile: | CSCc1cccc(c1)C(=O)O |
| InChi: | InChI=1S/C9H10O2S/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChiKey: | InChIKey=OSXILDVPLLSASE-UHFFFAOYSA-N |
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