5-(4-heptylphenyl)-2-[3,3,4-tris(fluoranyl)-2-heptyl-2H-1-benzofuran-5-yl]pyrimidine

Systemtic Name: 5-(4-heptylphenyl)-2-[3,3,4-tris(fluoranyl)-2-heptyl-2H-1-benzofuran-5-yl]pyrimidine Openeye Name: 5-(4-heptylphenyl)-2-(3,3,4-trifluoro-2-heptyl-2H-benzofuran-5-yl)pyrimidine CAS Name: 5-(4-heptylphenyl)-2-(3,3,4-trifluoro-2-heptyl-2H-benzofuran-5-yl)pyrimidine IUPAC Name: 5-(4-heptylphenyl)-2-(3,3,4-trifluoro-2-heptyl-2H-1-benzofuran-5-yl)pyrimidine Traditional Name: 5-(4-heptylphenyl)-2-(3,3,4-trifluoro-2-heptyl-coumaran-5-yl)pyrimidine Formula: C32H39F3N2O MolecularWeight: 524.66007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C2=C(O1)C=CC(=C2F)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCC)(F)F

Isomeric SMILES

CCCCCCCC1C(C2=C(O1)C=CC(=C2F)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCC)(F)F

InChI

InChI=1S/C32H39F3N2O/c1-3-5-7-9-11-13-23-15-17-24(18-16-23)25-21-36-31(37-22-25)26-19-20-27-29(30(26)33)32(34,35)28(38-27)14-12-10-8-6-4-2/h15-22,28H,3-14H2,1-2H3