5-(4-fluoranyl-3-methyl-phenyl)pentanoate

Systemtic Name: 5-(4-fluoranyl-3-methyl-phenyl)pentanoate Openeye Name: 5-(4-fluoro-3-methyl-phenyl)pentanoate CAS Name: 5-(4-fluoro-3-methylphenyl)pentanoate IUPAC Name: 5-(4-fluoro-3-methylphenyl)pentanoate Traditional Name: 5-(4-fluoro-3-methyl-phenyl)valerate Formula: C12H14FO2- MolecularWeight: 209.236763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO2/c1-9-8-10(6-7-11(9)13)4-2-3-5-12(14)15/h6-8H,2-5H2,1H3,(H,14,15)/p-1