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

Systemtic Name: 5-[2,5-bis(fluoranyl)phenyl]sulfanylpentanoic acid Openeye Name: 5-(2,5-difluorophenyl)sulfanylpentanoic acid CAS Name: 5-[(2,5-difluorophenyl)thio]pentanoic acid IUPAC Name: 5-(2,5-difluorophenyl)sulfanylpentanoic acid Traditional Name: 5-[(2,5-difluorophenyl)thio]valeric acid Formula: C11H12F2O2S MolecularWeight: 246.273586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)SCCCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1F)SCCCCC(=O)O)F

InChI

InChI=1S/C11H12F2O2S/c12-8-4-5-9(13)10(7-8)16-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H,14,15)