Isopropylb-D-thioglucuronidesodiumsalt

Isopropyl bD-thioglucuronide sodium salt Isopropyl-beta-D-glucosinolate sodium salt, CAS Number 208589-93-9 Product Name Isopropyl bD-thioglucuronide sodium salt IUPAC Name sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-propan-2-ylsulfanyloxane-2-carboxylate Molecular Formula C9H15NaO6S Molecular Weight 274.267 g/mol ikB InChI=1S/C9H16O6S.Na/c1-3(2)16-9-6(12)4(10)5(11)7(15-9)8(13)14;/h3-7,9-12H ,1-2H3,(H,13,14);/q;+1/p-1/t4-,5-,6+,7-,9-;/m0./s1 InChI Key KBUAMHFDNUCET-LTTPZWNQSA-M SMILES CC(C)SC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+] Canonical SMILES CC(C)SC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+] Isometric SMILES CC(C)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O )O)O.[Na+] CAS No: 208589-93-9 Synonyms: IPTGlcA.NaIsopropyl bD-thioglucuronic acid sodium salt MDL No: MFCD00798401 Chemical Formula: C9H15NaO6S Molecular Weight: 274.267