[(3S,4S)-3-ethoxy-4-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-3-ethoxy-4-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-3-ethoxy-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-hydroxy-4-(2-hydroxy-5-iodophenyl)butyl] ester IUPAC Name: [(3S,4S)-3-ethoxy-4-hydroxy-4-(2-hydroxy-5-iodophenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)butyl] ester Formula: C14H19IO5S MolecularWeight: 426.26713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19IO5S/c1-2-19-12(5-6-20-13(17)8-21)14(18)10-7-9(15)3-4-11(10)16/h3-4,7,12,14,16,18,21H,2,5-6,8H2,1H3/t12-,14-/m0/s1