2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-3-methylbutanoic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-3-methyl-butyric acid Formula: C11H12ClFO2S MolecularWeight: 262.728183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C11H12ClFO2S/c1-6(2)10(11(14)15)16-7-3-4-9(13)8(12)5-7/h3-6,10H,1-2H3,(H,14,15)