[4-(4-decoxyphenyl)phenyl] 3-(trifluoromethyl)heptanoate

Systemtic Name: [4-(4-decoxyphenyl)phenyl] 3-(trifluoromethyl)heptanoate Openeye Name: [4-(4-decoxyphenyl)phenyl] 3-(trifluoromethyl)heptanoate CAS Name: 3-(trifluoromethyl)heptanoic acid [4-(4-decoxyphenyl)phenyl] ester IUPAC Name: [4-(4-decoxyphenyl)phenyl] 3-(trifluoromethyl)heptanoate Traditional Name: 3-(trifluoromethyl)enanthic acid [4-(4-decoxyphenyl)phenyl] ester Formula: C30H41F3O3 MolecularWeight: 506.63995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)C(F)(F)F

InChI

InChI=1S/C30H41F3O3/c1-3-5-7-8-9-10-11-12-22-35-27-18-14-24(15-19-27)25-16-20-28(21-17-25)36-29(34)23-26(13-6-4-2)30(31,32)33/h14-21,26H,3-13,22-23H2,1-2H3