[4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester Formula: C35H43F3O3 MolecularWeight: 568.70933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

InChI

InChI=1S/C35H43F3O3/c1-3-5-7-8-9-10-26-40-32-24-19-29(20-25-32)28-15-17-30(18-16-28)34(39)41-33-22-13-27(14-23-33)12-21-31(11-6-4-2)35(36,37)38/h13-20,22-25,31H,3-12,21,26H2,1-2H3