2-butylsulfanyl-6-fluoranyl-4-methoxy-benzoic acid

Systemtic Name: 2-butylsulfanyl-6-fluoranyl-4-methoxy-benzoic acid Openeye Name: 2-butylsulfanyl-6-fluoro-4-methoxy-benzoic acid CAS Name: 2-(butylthio)-6-fluoro-4-methoxybenzoic acid IUPAC Name: 2-butylsulfanyl-6-fluoro-4-methoxybenzoic acid Traditional Name: 2-(butylthio)-6-fluoro-4-methoxy-benzoic acid Formula: C12H15FO3S MolecularWeight: 258.309103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC(=C1C(=O)O)F)OC

Isomeric SMILES

CCCCSC1=CC(=CC(=C1C(=O)O)F)OC

InChI

InChI=1S/C12H15FO3S/c1-3-4-5-17-10-7-8(16-2)6-9(13)11(10)12(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)