[4-[1,1,1-tris(fluoranyl)heptan-2-yloxycarbonyl]phenyl] 4-phenylmethoxybenzoate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)heptan-2-yloxycarbonyl]phenyl] 4-phenylmethoxybenzoate Openeye Name: [4-[1-(trifluoromethyl)hexoxycarbonyl]phenyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [4-[oxo(1,1,1-trifluoroheptan-2-yloxy)methyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluoroheptan-2-yloxycarbonyl)phenyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [4-[1-(trifluoromethyl)hexoxycarbonyl]phenyl] ester Formula: C28H27F3O5 MolecularWeight: 500.50619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H27F3O5/c1-2-3-5-10-25(28(29,30)31)36-27(33)22-13-17-24(18-14-22)35-26(32)21-11-15-23(16-12-21)34-19-20-8-6-4-7-9-20/h4,6-9,11-18,25H,2-3,5,10,19H2,1H3