[4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-heptylphenyl)benzoate

Systemtic Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-heptylphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)nonyl]phenyl] 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid [4-[3-(trifluoromethyl)nonyl]phenyl] ester Formula: C36H45F3O2 MolecularWeight: 566.73651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C36H45F3O2/c1-3-5-7-9-10-12-28-14-19-30(20-15-28)31-21-23-32(24-22-31)35(40)41-34-26-17-29(18-27-34)16-25-33(36(37,38)39)13-11-8-6-4-2/h14-15,17-24,26-27,33H,3-13,16,25H2,1-2H3