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

Systemtic Name: 2-[2-[(4-ethylsulfanylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[2-[(4-ethylsulfanylphenyl)methyl]phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[2-[[4-(ethylthio)phenyl]methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-ethylsulfanylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[2-[4-(ethylthio)benzyl]phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C21H26O5S2 MolecularWeight: 422.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H26O5S2/c1-2-27-15-9-7-13(8-10-15)11-14-5-3-4-6-16(14)26-21-20(25)19(24)18(23)17(12-22)28-21/h3-10,17-25H,2,11-12H2,1H3