4-fluoranylpentan-2-yl 3-methylbenzoate

Systemtic Name: 4-fluoranylpentan-2-yl 3-methylbenzoate Openeye Name: (3-fluoro-1-methyl-butyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid 4-fluoropentan-2-yl ester IUPAC Name: 4-fluoropentan-2-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (3-fluoro-1-methyl-butyl) ester Formula: C13H17FO2 MolecularWeight: 224.271283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)CC(C)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC(C)CC(C)F

InChI

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