1-octyl-4-phenyl-benzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid

Systemtic Name: 1-octyl-4-phenyl-benzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid Openeye Name: 1-octyl-4-phenyl-benzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid CAS Name: 1-octyl-4-phenylbenzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid IUPAC Name: 1-octyl-4-phenylbenzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid Traditional Name: 1-octyl-4-phenyl-benzene; 4-[3-(trifluoromethyl)heptoxy]benzoic acid Formula: C35H45F3O3 MolecularWeight: 570.72521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCCC(CCOC1=CC=C(C=C1)C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2.CCCCC(CCOC1=CC=C(C=C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H26.C15H19F3O3/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19;1-2-3-4-12(15(16,17)18)9-10-21-13-7-5-11(6-8-13)14(19)20/h7,9-10,12-17H,2-6,8,11H2,1H3;5-8,12H,2-4,9-10H2,1H3,(H,19,20)