3-[2-(2-fluorophenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(2-fluorophenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(2-fluorophenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(2-fluorophenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(2-fluorophenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(2-fluorophenyl)thio]ethoxy]benzoic acid Formula: C15H13FO3S MolecularWeight: 292.325323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H13FO3S/c16-13-6-1-2-7-14(13)20-9-8-19-12-5-3-4-11(10-12)15(17)18/h1-7,10H,8-9H2,(H,17,18)