3-(3-fluoranyl-4-methoxy-phenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-[(3-fluoro-4-methoxyphenyl)thio]-3-methylbutanoic acid IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 3-[(3-fluoro-4-methoxy-phenyl)thio]-3-methyl-butyric acid Formula: C12H15FO3S MolecularWeight: 258.309103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO3S/c1-12(2,7-11(14)15)17-8-4-5-10(16-3)9(13)6-8/h4-6H,7H2,1-3H3,(H,14,15)