3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid

Systemtic Name: 3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid Openeye Name: 3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid CAS Name: 3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid IUPAC Name: 3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid Traditional Name: 3-[4-(4-octoxyphenyl)phenyl]-2-[3-(trifluoromethyl)heptoxy]benzoic acid Formula: C35H43F3O4 MolecularWeight: 584.70873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43F3O4/c1-3-5-7-8-9-10-24-41-30-21-19-27(20-22-30)26-15-17-28(18-16-26)31-13-11-14-32(34(39)40)33(31)42-25-23-29(12-6-4-2)35(36,37)38/h11,13-22,29H,3-10,12,23-25H2,1-2H3,(H,39,40)