sodium 2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol dihydrate

Systemtic Name: sodium 2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol dihydrate Openeye Name: sodium 2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol dihydrate CAS Name: sodium 2-(hydroxymethyl)-6-mercaptooxane-3,4,5-triol dihydrate IUPAC Name: sodium 2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol dihydrate Traditional Name: sodium 2-mercapto-6-methylol-tetrahydropyran-3,4,5-triol dihydrate Formula: C6H16NaO7S+ MolecularWeight: 255.24181

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)S)O)O)O)O.O.O.[Na+]

Isomeric SMILES

C(C1C(C(C(C(O1)S)O)O)O)O.O.O.[Na+]

InChI

InChI=1S/C6H12O5S.Na.2H2O/c7-1-2-3(8)4(9)5(10)6(12)11-2;;;/h2-10,12H,1H2;;2*1H2/q;+1;;