4-methylpentyl 3-fluoranylbenzoate

Systemtic Name: 4-methylpentyl 3-fluoranylbenzoate Openeye Name: isohexyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid isohexyl ester Formula: C13H17FO2 MolecularWeight: 224.271283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC(=CC=C1)F

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC(=CC=C1)F

InChI

InChI=1S/C13H17FO2/c1-10(2)5-4-8-16-13(15)11-6-3-7-12(14)9-11/h3,6-7,9-10H,4-5,8H2,1-2H3