3-fluoranyl-4-[(2S)-4-methylpentan-2-yl]oxy-benzoate

Systemtic Name: 3-fluoranyl-4-[(2S)-4-methylpentan-2-yl]oxy-benzoate Openeye Name: 4-[(1S)-1,3-dimethylbutoxy]-3-fluoro-benzoate CAS Name: 3-fluoro-4-[(2S)-4-methylpentan-2-yl]oxybenzoate IUPAC Name: 3-fluoro-4-[(2S)-4-methylpentan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-1,3-dimethylbutoxy]-3-fluoro-benzoate Formula: C13H16FO3- MolecularWeight: 239.262743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OC1=C(C=C(C=C1)C(=O)[O-])F

Isomeric SMILES

C[C@@H](CC(C)C)OC1=C(C=C(C=C1)C(=O)[O-])F

InChI

InChI=1S/C13H17FO3/c1-8(2)6-9(3)17-12-5-4-10(13(15)16)7-11(12)14/h4-5,7-9H,6H2,1-3H3,(H,15,16)/p-1/t9-/m0/s1