2-[2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethyl-pentanethioic S-acid

Systemtic Name: 2-[2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethyl-pentanethioic S-acid Openeye Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethyl-pentanethioic S-acid CAS Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethylpentanethioic S-acid IUPAC Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethylpentanethioic S-acid Traditional Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-ethyl-thiovaleric acid Formula: C20H19BrClF3O3S MolecularWeight: 511.78027

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(C(=O)S)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)Br

Isomeric SMILES

CCCC(CC)(C(=O)S)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)Br

InChI

InChI=1S/C20H19BrClF3O3S/c1-3-9-19(4-2,18(26)29)28-17-11-13(6-7-14(17)21)27-16-8-5-12(10-15(16)22)20(23,24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,26,29)