3,3-dimethylbutyl 4-fluoranylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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