4-fluoranyl-3,5-dimethyl-benzoate

Systemtic Name: 4-fluoranyl-3,5-dimethyl-benzoate Openeye Name: 4-fluoro-3,5-dimethyl-benzoate CAS Name: 4-fluoro-3,5-dimethylbenzoate IUPAC Name: 4-fluoro-3,5-dimethylbenzoate Traditional Name: 4-fluoro-3,5-dimethyl-benzoate Formula: C9H8FO2- MolecularWeight: 167.157023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1F)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1F)C)C(=O)[O-]

InChI

InChI=1S/C9H9FO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)/p-1