1-[2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-6-sulfanyl-oxan-4-yl]propan-1-one

Systemtic Name: 1-[2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-6-sulfanyl-oxan-4-yl]propan-1-one Openeye Name: 1-[3,4,5-trihydroxy-2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-4-yl]propan-1-one CAS Name: 1-[3,4,5-trihydroxy-2-(hydroxymethyl)-6-mercapto-4-oxanyl]-1-propanone IUPAC Name: 1-[3,4,5-trihydroxy-2-(hydroxymethyl)-6-sulfanyloxan-4-yl]propan-1-one Traditional Name: 1-(3,4,5-trihydroxy-2-mercapto-6-methylol-tetrahydropyran-4-yl)propan-1-one Formula: C9H16O6S MolecularWeight: 252.28474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C(OC(C1O)S)CO)O)O

Isomeric SMILES

CCC(=O)C1(C(C(OC(C1O)S)CO)O)O

InChI

InChI=1S/C9H16O6S/c1-2-5(11)9(14)6(12)4(3-10)15-8(16)7(9)13/h4,6-8,10,12-14,16H,2-3H2,1H3