[(3R,4R)-4-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-3-methoxy-4-oxidanyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-4-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-3-methoxy-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-methoxy-butyl] ester Formula: C13H16Br2O5S MolecularWeight: 444.13614

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCOC(=O)CS)C(C1=CC(=CC(=C1O)Br)Br)O

Isomeric SMILES

CO[C@H](CCOC(=O)CS)[C@@H](C1=CC(=CC(=C1O)Br)Br)O

InChI

InChI=1S/C13H16Br2O5S/c1-19-10(2-3-20-11(16)6-21)13(18)8-4-7(14)5-9(15)12(8)17/h4-5,10,13,17-18,21H,2-3,6H2,1H3/t10-,13-/m1/s1