3-[(3-fluorophenyl)methylsulfanyl]-5-methyl-benzoic acid

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-methyl-benzoic acid Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-methyl-benzoic acid CAS Name: 3-[(3-fluorophenyl)methylthio]-5-methylbenzoic acid IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-methylbenzoic acid Traditional Name: 3-[(3-fluorobenzyl)thio]-5-methyl-benzoic acid Formula: C15H13FO2S MolecularWeight: 276.325923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)SCC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)SCC2=CC(=CC=C2)F

InChI

InChI=1S/C15H13FO2S/c1-10-5-12(15(17)18)8-14(6-10)19-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3,(H,17,18)