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

Systemtic Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate CAS Name: 4-(4-hexadecoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexadecoxyphenyl)benzoate Traditional Name: 4-(4-cetyloxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester Formula: C43H59F3O3 MolecularWeight: 680.92197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=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/C43H59F3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-34-48-40-32-27-37(28-33-40)36-23-25-38(26-24-36)42(47)49-41-30-21-35(22-31-41)20-29-39(19-6-4-2)43(44,45)46/h21-28,30-33,39H,3-20,29,34H2,1-2H3