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

Systemtic Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester IUPAC Name: [4-[3-(trifluoromethyl)heptyl]phenyl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [4-[3-(trifluoromethyl)heptyl]phenyl] ester Formula: C33H39F3O3 MolecularWeight: 540.65617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=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/C33H39F3O3/c1-3-5-7-8-24-38-30-22-17-27(18-23-30)26-13-15-28(16-14-26)32(37)39-31-20-11-25(12-21-31)10-19-29(9-6-4-2)33(34,35)36/h11-18,20-23,29H,3-10,19,24H2,1-2H3