1,1,1-tris(fluoranyl)octan-2-yl 4-phenyl-1-phenylmethoxy-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-phenyl-1-phenylmethoxy-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-(trifluoromethyl)heptyl 1-benzyloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-phenyl-1-phenylmethoxy-1-cyclohexa-2,5-dienecarboxylic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-phenyl-1-phenylmethoxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-benzoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid 1-(trifluoromethyl)heptyl ester Formula: C28H31F3O3 MolecularWeight: 472.53915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31F3O3/c1-2-3-4-11-16-25(28(29,30)31)34-26(32)27(33-21-22-12-7-5-8-13-22)19-17-24(18-20-27)23-14-9-6-10-15-23/h5-10,12-15,17-20,24-25H,2-4,11,16,21H2,1H3