[(3R,4R)-4-(4-hydroxyphenyl)-4-oxidanyl-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-4-(4-hydroxyphenyl)-4-oxidanyl-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-hydroxy-4-(4-hydroxyphenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(4-hydroxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-hydroxy-4-(4-hydroxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(4-hydroxyphenyl)-3-phenoxy-butyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c19-14-8-6-13(7-9-14)18(21)16(10-11-22-17(20)12-24)23-15-4-2-1-3-5-15/h1-9,16,18-19,21,24H,10-12H2/t16-,18-/m1/s1