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

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl 4-phenylbenzoate Openeye Name: 1-(trifluoromethyl)heptoxycarbonyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [oxo(1,1,1-trifluorooctan-2-yloxy)methyl] ester IUPAC Name: 1,1,1-trifluorooctan-2-yloxycarbonyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 1-(trifluoromethyl)heptoxycarbonyl ester Formula: C22H23F3O4 MolecularWeight: 408.41083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F3O4/c1-2-3-4-8-11-19(22(23,24)25)28-21(27)29-20(26)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