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

Systemtic Name: [(3S,4S)-4-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-methylbutyl] ester IUPAC Name: [(3S,4S)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-methyl-butyl] ester Formula: C13H16Br2O4S MolecularWeight: 428.13674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Br2O4S/c1-7(2-3-19-11(16)6-20)12(17)9-4-8(14)5-10(15)13(9)18/h4-5,7,12,17-18,20H,2-3,6H2,1H3/t7-,12-/m0/s1