1-phenyl-4-undec-10-enoxy-benzene; 4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]benzoic acid

Systemtic Name: 1-phenyl-4-undec-10-enoxy-benzene; 4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]benzoic acid Openeye Name: 1-phenyl-4-undec-10-enoxy-benzene; 4-[1-(trifluoromethyl)heptoxymethyl]benzoic acid CAS Name: 1-phenyl-4-undec-10-enoxybenzene; 4-(1,1,1-trifluorooctan-2-yloxymethyl)benzoic acid IUPAC Name: 1-phenyl-4-undec-10-enoxybenzene; 4-(1,1,1-trifluorooctan-2-yloxymethyl)benzoic acid Traditional Name: 1-phenyl-4-undec-10-enoxy-benzene; 4-[1-(trifluoromethyl)heptoxymethyl]benzoic acid Formula: C39H51F3O4 MolecularWeight: 640.81505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OCC1=CC=C(C=C1)C(=O)O.C=CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(F)(F)F)OCC1=CC=C(C=C1)C(=O)O.C=CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H30O.C16H21F3O3/c1-2-3-4-5-6-7-8-9-13-20-24-23-18-16-22(17-19-23)21-14-11-10-12-15-21;1-2-3-4-5-6-14(16(17,18)19)22-11-12-7-9-13(10-8-12)15(20)21/h2,10-12,14-19H,1,3-9,13,20H2;7-10,14H,2-6,11H2,1H3,(H,20,21)