2-[2,3-bis(fluoranyl)-4-nonyl-phenyl]-5-[(E)-dec-1-enyl]pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-nonyl-phenyl]-5-[(E)-dec-1-enyl]pyrimidine Openeye Name: 5-[(E)-dec-1-enyl]-2-(2,3-difluoro-4-nonyl-phenyl)pyrimidine CAS Name: 5-[(E)-dec-1-enyl]-2-(2,3-difluoro-4-nonylphenyl)pyrimidine IUPAC Name: 5-[(E)-dec-1-enyl]-2-(2,3-difluoro-4-nonylphenyl)pyrimidine Traditional Name: 5-[(E)-dec-1-enyl]-2-(2,3-difluoro-4-nonyl-phenyl)pyrimidine Formula: C29H42F2N2 MolecularWeight: 456.653986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)C=CCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)/C=C/CCCCCCCC)F)F

InChI

InChI=1S/C29H42F2N2/c1-3-5-7-9-11-13-14-16-18-24-22-32-29(33-23-24)26-21-20-25(27(30)28(26)31)19-17-15-12-10-8-6-4-2/h16,18,20-23H,3-15,17,19H2,1-2H3/b18-16+