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

Systemtic Name: [(3R,4R)-4-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-4-oxidanyl-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-3-phenoxy-butyl] ester Formula: C18H18Br2O5S MolecularWeight: 506.20552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCOC(=O)CS)C(C2=CC(=CC(=C2O)Br)Br)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@H](CCOC(=O)CS)[C@@H](C2=CC(=CC(=C2O)Br)Br)O

InChI

InChI=1S/C18H18Br2O5S/c19-11-8-13(17(22)14(20)9-11)18(23)15(6-7-24-16(21)10-26)25-12-4-2-1-3-5-12/h1-5,8-9,15,18,22-23,26H,6-7,10H2/t15-,18-/m1/s1