1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylmethoxyphenyl)carbonylbenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylmethoxyphenyl)carbonylbenzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(4-benzyloxybenzoyl)benzoate CAS Name: 4-[oxo-(4-phenylmethoxyphenyl)methyl]benzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(4-phenylmethoxybenzoyl)benzoate Traditional Name: 4-(4-benzoxybenzoyl)benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C29H29F3O4 MolecularWeight: 498.53337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29F3O4/c1-2-3-4-8-11-26(29(30,31)32)36-28(34)24-14-12-22(13-15-24)27(33)23-16-18-25(19-17-23)35-20-21-9-6-5-7-10-21/h5-7,9-10,12-19,26H,2-4,8,11,20H2,1H3