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

Systemtic Name: 4-[[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-2-yl]oxyphenyl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-2-yl]oxyphenyl]methyl]benzonitrile CAS Name: 4-[[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]oxy]phenyl]methyl]benzonitrile IUPAC Name: 4-[[2-[3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]oxyphenyl]methyl]benzonitrile Traditional Name: 4-[2-(3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-2-yl)oxybenzyl]benzonitrile Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC=C(C=C2)C#N)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)C#N)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C20H21NO5S/c21-10-13-7-5-12(6-8-13)9-14-3-1-2-4-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-8,16-20,22-25H,9,11H2