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

Systemtic Name: [(4R)-4-(5-iodanyl-2-oxidanyl-phenyl)-3,3-dimethyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)-3,3-dimethyl-butyl] ester Formula: C14H19IO4S MolecularWeight: 410.26773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19IO4S/c1-14(2,5-6-19-12(17)8-20)13(18)10-7-9(15)3-4-11(10)16/h3-4,7,13,16,18,20H,5-6,8H2,1-2H3/t13-/m0/s1