2-[2-[(4-ethylphenyl)methyl]-4-methyl-phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol

Systemtic Name: 2-[2-[(4-ethylphenyl)methyl]-4-methyl-phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[2-[(4-ethylphenyl)methyl]-4-methyl-phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[2-[(4-ethylphenyl)methyl]-4-methylphenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-ethylphenyl)methyl]-4-methylphenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[2-(4-ethylbenzyl)-4-methyl-phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)C)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)C)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C22H28O5S/c1-3-14-5-7-15(8-6-14)11-16-10-13(2)4-9-17(16)27-22-21(26)20(25)19(24)18(12-23)28-22/h4-10,18-26H,3,11-12H2,1-2H3