ethyl (3S,4R)-3-oxidanyl-4-[4-(trifluoromethyl)phenyl]pentanedithioate

Systemtic Name: ethyl (3S,4R)-3-oxidanyl-4-[4-(trifluoromethyl)phenyl]pentanedithioate Openeye Name: ethyl (3S,4R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]pentanedithioate CAS Name: (3S,4R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]pentanedithioic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]pentanedithioate Traditional Name: (3S,4R)-3-hydroxy-4-[4-(trifluoromethyl)phenyl]pentanedithioic acid ethyl ester Formula: C14H17F3OS2 MolecularWeight: 322.40939

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)CC(C(C)C1=CC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

CCSC(=S)C[C@@H]([C@H](C)C1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C14H17F3OS2/c1-3-20-13(19)8-12(18)9(2)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,12,18H,3,8H2,1-2H3/t9-,12+/m1/s1