[1,1,1-tris(fluoranyl)-5-oxidanyl-octan-2-yl] benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-5-oxidanyl-octan-2-yl] benzoate Openeye Name: [4-hydroxy-1-(trifluoromethyl)heptyl] benzoate CAS Name: benzoic acid (1,1,1-trifluoro-5-hydroxyoctan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-5-hydroxyoctan-2-yl) benzoate Traditional Name: benzoic acid [4-hydroxy-1-(trifluoromethyl)heptyl] ester Formula: C15H19F3O3 MolecularWeight: 304.30477

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C(F)(F)F)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCC(CCC(C(F)(F)F)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C15H19F3O3/c1-2-6-12(19)9-10-13(15(16,17)18)21-14(20)11-7-4-3-5-8-11/h3-5,7-8,12-13,19H,2,6,9-10H2,1H3