1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene

Systemtic Name: 1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene Openeye Name: 1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene CAS Name: 1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene IUPAC Name: 1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene Traditional Name: 1,3,5-trimethoxy-2,4,6-tris[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene Formula: C36H21F9O3 MolecularWeight: 672.535769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1C#CC2=CC=C(C=C2)C(F)(F)F)OC)C#CC3=CC=C(C=C3)C(F)(F)F)OC)C#CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1C#CC2=CC=C(C=C2)C(F)(F)F)OC)C#CC3=CC=C(C=C3)C(F)(F)F)OC)C#CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C36H21F9O3/c1-46-31-28(19-10-22-4-13-25(14-5-22)34(37,38)39)32(47-2)30(21-12-24-8-17-27(18-9-24)36(43,44)45)33(48-3)29(31)20-11-23-6-15-26(16-7-23)35(40,41)42/h4-9,13-18H,1-3H3