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

Systemtic Name: [(3R,4R)-4-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3-phenoxy-butyl] ester Formula: C18H19IO5S MolecularWeight: 474.30993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19IO5S/c19-12-6-7-15(20)14(10-12)18(22)16(8-9-23-17(21)11-25)24-13-4-2-1-3-5-13/h1-7,10,16,18,20,22,25H,8-9,11H2/t16-,18-/m1/s1