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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClO5S/c1-23(2,3)15-6-4-13(5-7-15)10-14-11-16(24)8-9-17(14)29-22-21(28)20(27)19(26)18(12-25)30-22/h4-9,11,18-22,25-28H,10,12H2,1-3H3