3-[2,5-bis(fluoranyl)phenyl]sulfanylbutanoic acid

Systemtic Name: 3-[2,5-bis(fluoranyl)phenyl]sulfanylbutanoic acid Openeye Name: 3-(2,5-difluorophenyl)sulfanylbutanoic acid CAS Name: 3-[(2,5-difluorophenyl)thio]butanoic acid IUPAC Name: 3-(2,5-difluorophenyl)sulfanylbutanoic acid Traditional Name: 3-[(2,5-difluorophenyl)thio]butyric acid Formula: C10H10F2O2S MolecularWeight: 232.247006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F2O2S/c1-6(4-10(13)14)15-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14)