2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]cyclopropanecarboxylic acid CAS Name: 2-[4-[(2-bromophenyl)thio]-3-(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-(2-bromophenyl)sulfanyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[(2-bromophenyl)thio]-3-(trifluoromethyl)phenyl]cyclopropanecarboxylic acid Formula: C17H12BrF3O2S MolecularWeight: 417.24019

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)C(F)(F)F

Isomeric SMILES

C1C(C1C(=O)O)C2=CC(=C(C=C2)SC3=CC=CC=C3Br)C(F)(F)F

InChI

InChI=1S/C17H12BrF3O2S/c18-13-3-1-2-4-15(13)24-14-6-5-9(7-12(14)17(19,20)21)10-8-11(10)16(22)23/h1-7,10-11H,8H2,(H,22,23)