5,5-bis(fluoranyl)-5-(4-methylphenyl)pentanoate

Systemtic Name: 5,5-bis(fluoranyl)-5-(4-methylphenyl)pentanoate Openeye Name: 5,5-difluoro-5-(p-tolyl)pentanoate CAS Name: 5,5-difluoro-5-(4-methylphenyl)pentanoate IUPAC Name: 5,5-difluoro-5-(4-methylphenyl)pentanoate Traditional Name: 5,5-difluoro-5-(p-tolyl)valerate Formula: C12H13F2O2- MolecularWeight: 227.227226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCCC(=O)[O-])(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(CCCC(=O)[O-])(F)F

InChI

InChI=1S/C12H14F2O2/c1-9-4-6-10(7-5-9)12(13,14)8-2-3-11(15)16/h4-7H,2-3,8H2,1H3,(H,15,16)/p-1