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

Systemtic Name: 2-[4-bromanyl-2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[4-bromo-2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[4-bromo-2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[4-bromo-2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[4-bromo-2-(4-ethylbenzyl)phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C21H25BrO5S MolecularWeight: 469.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H25BrO5S/c1-2-12-3-5-13(6-4-12)9-14-10-15(22)7-8-16(14)27-21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3