1,1,1-tris(fluoranyl)octan-2-yl 4-phenylbenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-phenylbenzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 1-(trifluoromethyl)heptyl ester Formula: C21H23F3O2 MolecularWeight: 364.40133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H23F3O2/c1-2-3-4-8-11-19(21(22,23)24)26-20(25)18-14-12-17(13-15-18)16-9-6-5-7-10-16/h5-7,9-10,12-15,19H,2-4,8,11H2,1H3