3-methylbutyl 2-fluoranyl-4-oxidanyl-benzoate

Systemtic Name: 3-methylbutyl 2-fluoranyl-4-oxidanyl-benzoate Openeye Name: isopentyl 2-fluoro-4-hydroxy-benzoate CAS Name: 2-fluoro-4-hydroxybenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-fluoro-4-hydroxybenzoate Traditional Name: 2-fluoro-4-hydroxy-benzoic acid isoamyl ester Formula: C12H15FO3 MolecularWeight: 226.244103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO3/c1-8(2)5-6-16-12(15)10-4-3-9(14)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3