1-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]ethanone

Systemtic Name: 1-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]ethanone Openeye Name: 1-[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylphenyl]ethanone CAS Name: 1-[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]ethanone IUPAC Name: 1-[4-(3,4,5-trihydroxythian-2-yl)sulfanylphenyl]ethanone Traditional Name: 1-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]phenyl]ethanone Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2C(C(C(CS2)O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2C(C(C(CS2)O)O)O

InChI

InChI=1S/C13H16O4S2/c1-7(14)8-2-4-9(5-3-8)19-13-12(17)11(16)10(15)6-18-13/h2-5,10-13,15-17H,6H2,1H3