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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC(=C(C=C1)O)F

Isomeric SMILES

CCC(C)COC(=O)C1=CC(=C(C=C1)O)F

InChI

InChI=1S/C12H15FO3/c1-3-8(2)7-16-12(15)9-4-5-11(14)10(13)6-9/h4-6,8,14H,3,7H2,1-2H3