sodium (3S,4R,6S)-3,4,5-tris(oxidanyl)-6-propan-2-ylsulfanyl-oxane-2-carboxylate

Systemtic Name: sodium (3S,4R,6S)-3,4,5-tris(oxidanyl)-6-propan-2-ylsulfanyl-oxane-2-carboxylate Openeye Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-isopropylsulfanyl-tetrahydropyran-2-carboxylate CAS Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-(propan-2-ylthio)-2-oxanecarboxylate IUPAC Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-propan-2-ylsulfanyloxane-2-carboxylate Traditional Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-(isopropylthio)tetrahydropyran-2-carboxylate Formula: C9H15NaO6S MolecularWeight: 274.26657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CC(C)S[C@H]1C([C@@H]([C@@H](C(O1)C(=O)[O-])O)O)O.[Na+]

InChI

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+;/m1./s1