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

Systemtic Name: [(4R)-4-(3-fluoranyl-4-oxidanyl-phenyl)-3,3-dimethyl-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-3,3-dimethyl-butyl] ester Formula: C14H19FO4S MolecularWeight: 302.361663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FO4S/c1-14(2,5-6-19-12(17)8-20)13(18)9-3-4-11(16)10(15)7-9/h3-4,7,13,16,18,20H,5-6,8H2,1-2H3/t13-/m0/s1