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

Systemtic Name: 2-[2-[(4-butylphenyl)methyl]-4-chloranyl-phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[2-[(4-butylphenyl)methyl]-4-chloro-phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[2-[(4-butylphenyl)methyl]-4-chlorophenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-butylphenyl)methyl]-4-chlorophenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[2-(4-butylbenzyl)-4-chloro-phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C23H29ClO5S MolecularWeight: 452.99136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C23H29ClO5S/c1-2-3-4-14-5-7-15(8-6-14)11-16-12-17(24)9-10-18(16)29-23-22(28)21(27)20(26)19(13-25)30-23/h5-10,12,19-23,25-28H,2-4,11,13H2,1H3