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

Systemtic Name: [(3R,4R)-4-(5-iodanyl-2-oxidanyl-phenyl)-3-methyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3-methyl-butyl] ester Formula: C13H17IO4S MolecularWeight: 396.24115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IO4S/c1-8(4-5-18-12(16)7-19)13(17)10-6-9(14)2-3-11(10)15/h2-3,6,8,13,15,17,19H,4-5,7H2,1H3/t8-,13-/m1/s1