2-decoxy-1-(2-phenylethynyl)-4-[1,1,1-tris(fluoranyl)octan-2-yloxy]benzene

Systemtic Name: 2-decoxy-1-(2-phenylethynyl)-4-[1,1,1-tris(fluoranyl)octan-2-yloxy]benzene Openeye Name: 2-decoxy-1-(2-phenylethynyl)-4-[1-(trifluoromethyl)heptoxy]benzene CAS Name: 2-decoxy-1-(2-phenylethynyl)-4-(1,1,1-trifluorooctan-2-yloxy)benzene IUPAC Name: 2-decoxy-1-(2-phenylethynyl)-4-(1,1,1-trifluorooctan-2-yloxy)benzene Traditional Name: 2-decoxy-1-(2-phenylethynyl)-4-[1-(trifluoromethyl)heptoxy]benzene Formula: C32H43F3O2 MolecularWeight: 516.67783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)OC(CCCCCC)C(F)(F)F)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)OC(CCCCCC)C(F)(F)F)C#CC2=CC=CC=C2

InChI

InChI=1S/C32H43F3O2/c1-3-5-7-9-10-11-12-17-25-36-30-26-29(37-31(32(33,34)35)20-16-8-6-4-2)24-23-28(30)22-21-27-18-14-13-15-19-27/h13-15,18-19,23-24,26,31H,3-12,16-17,20,25H2,1-2H3