2-[2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-methyl-propanethioic S-acid

Systemtic Name: 2-[2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]-2-methyl-propanethioic S-acid Openeye Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-methyl-propanethioic S-acid CAS Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-methylpropanethioic S-acid IUPAC Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-methylpropanethioic S-acid Traditional Name: 2-[2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-methyl-thiopropionic acid Formula: C17H13BrClF3O3S MolecularWeight: 469.70053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClF3O3S/c1-16(2,15(23)26)25-14-8-10(4-5-11(14)18)24-13-6-3-9(7-12(13)19)17(20,21)22/h3-8H,1-2H3,(H,23,26)