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

Systemtic Name: 2-[4-chloranyl-2-[(2,4-dimethoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[4-chloro-2-(2,4-dimethoxybenzyl)phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C21H25ClO7S MolecularWeight: 456.937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O)OC

InChI

InChI=1S/C21H25ClO7S/c1-27-14-5-3-11(16(9-14)28-2)7-12-8-13(22)4-6-15(12)29-21-20(26)19(25)18(24)17(10-23)30-21/h3-6,8-9,17-21,23-26H,7,10H2,1-2H3