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

Systemtic Name: [(4R)-4-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-3,3-dimethyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3,3-dimethyl-butyl] ester Formula: C14H18Br2O4S MolecularWeight: 442.16332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Br2O4S/c1-14(2,3-4-20-11(17)7-21)13(19)9-5-8(15)6-10(16)12(9)18/h5-6,13,18-19,21H,3-4,7H2,1-2H3/t13-/m0/s1