propyl 3-[3-bromanyl-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanedithioate

Systemtic Name: propyl 3-[3-bromanyl-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanedithioate Openeye Name: propyl 3-[3-bromo-4-(trifluoromethyl)phenyl]-3-oxo-propanedithioate CAS Name: 3-[3-bromo-4-(trifluoromethyl)phenyl]-3-oxopropanedithioic acid propyl ester IUPAC Name: propyl 3-[3-bromo-4-(trifluoromethyl)phenyl]-3-oxopropanedithioate Traditional Name: 3-[3-bromo-4-(trifluoromethyl)phenyl]-3-keto-propanedithioic acid propyl ester Formula: C13H12BrF3OS2 MolecularWeight: 385.26299

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=S)CC(=O)C1=CC(=C(C=C1)C(F)(F)F)Br

Isomeric SMILES

CCCSC(=S)CC(=O)C1=CC(=C(C=C1)C(F)(F)F)Br

InChI

InChI=1S/C13H12BrF3OS2/c1-2-5-20-12(19)7-11(18)8-3-4-9(10(14)6-8)13(15,16)17/h3-4,6H,2,5,7H2,1H3