N-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylphenyl]acetamide CAS Name: N-[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]acetamide IUPAC Name: N-[4-(3,4,5-trihydroxythian-2-yl)sulfanylphenyl]acetamide Traditional Name: N-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]phenyl]acetamide Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2C(C(C(CS2)O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2C(C(C(CS2)O)O)O

InChI

InChI=1S/C13H17NO4S2/c1-7(15)14-8-2-4-9(5-3-8)20-13-12(18)11(17)10(16)6-19-13/h2-5,10-13,16-18H,6H2,1H3,(H,14,15)