4-(3,4-dimethylphenyl)-4,4-bis(fluoranyl)butanoate

Systemtic Name: 4-(3,4-dimethylphenyl)-4,4-bis(fluoranyl)butanoate Openeye Name: 4-(3,4-dimethylphenyl)-4,4-difluoro-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4,4-difluorobutanoate IUPAC Name: 4-(3,4-dimethylphenyl)-4,4-difluorobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4,4-difluoro-butyrate Formula: C12H13F2O2- MolecularWeight: 227.227226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCC(=O)[O-])(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCC(=O)[O-])(F)F)C

InChI

InChI=1S/C12H14F2O2/c1-8-3-4-10(7-9(8)2)12(13,14)6-5-11(15)16/h3-4,7H,5-6H2,1-2H3,(H,15,16)/p-1