1-[4-[[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxyphenyl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-[[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxyphenyl]methyl]phenyl]ethanone Openeye Name: 1-[4-[[2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxyphenyl]methyl]phenyl]ethanone CAS Name: 1-[4-[[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]phenyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-[[2-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxyphenyl]methyl]phenyl]ethanone Traditional Name: 1-[4-[2-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxybenzyl]phenyl]ethanone Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H24O6S/c1-12(23)14-8-6-13(7-9-14)10-15-4-2-3-5-16(15)27-21-20(26)19(25)18(24)17(11-22)28-21/h2-9,17-22,24-26H,10-11H2,1H3