2-[4-[chloranyl-bis(fluoranyl)methyl]sulfanylphenyl]-3-methyl-butanoic acid

Systemtic Name: 2-[4-[chloranyl-bis(fluoranyl)methyl]sulfanylphenyl]-3-methyl-butanoic acid Openeye Name: 2-[4-[chloro(difluoro)methyl]sulfanylphenyl]-3-methyl-butanoic acid CAS Name: 2-[4-[[chloro(difluoro)methyl]thio]phenyl]-3-methylbutanoic acid IUPAC Name: 2-[4-[chloro(difluoro)methyl]sulfanylphenyl]-3-methylbutanoic acid Traditional Name: 2-[4-[[chloro(difluoro)methyl]thio]phenyl]-3-methyl-butyric acid Formula: C12H13ClF2O2S MolecularWeight: 294.745226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClF2O2S/c1-7(2)10(11(16)17)8-3-5-9(6-4-8)18-12(13,14)15/h3-7,10H,1-2H3,(H,16,17)