(3S)-3-(4-fluoranyl-3-methyl-phenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(4-fluoranyl-3-methyl-phenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(4-fluoro-3-methyl-phenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoate Traditional Name: (3S)-3-(4-fluoro-3-methyl-phenyl)-4-methyl-valerate Formula: C13H16FO2- MolecularWeight: 223.263343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)[O-])C(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](CC(=O)[O-])C(C)C)F

InChI

InChI=1S/C13H17FO2/c1-8(2)11(7-13(15)16)10-4-5-12(14)9(3)6-10/h4-6,8,11H,7H2,1-3H3,(H,15,16)/p-1/t11-/m0/s1