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

Systemtic Name: 2-[2-[(4-cyclopropylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[2-[(4-cyclopropylphenyl)methyl]phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[2-[(4-cyclopropylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-cyclopropylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[2-(4-cyclopropylbenzyl)phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C22H26O5S MolecularWeight: 402.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC=C(C=C2)CC3=CC=CC=C3OC4C(C(C(C(S4)CO)O)O)O

Isomeric SMILES

C1CC1C2=CC=C(C=C2)CC3=CC=CC=C3OC4C(C(C(C(S4)CO)O)O)O

InChI

InChI=1S/C22H26O5S/c23-12-18-19(24)20(25)21(26)22(28-18)27-17-4-2-1-3-16(17)11-13-5-7-14(8-6-13)15-9-10-15/h1-8,15,18-26H,9-12H2