2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-(3-fluoranyloctyl)pyridine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-5-(3-fluoranyloctyl)pyridine Openeye Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(3-fluorooctyl)pyridine CAS Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(3-fluorooctyl)pyridine IUPAC Name: 2-(2,3-difluoro-4-octoxyphenyl)-5-(3-fluorooctyl)pyridine Traditional Name: 2-(2,3-difluoro-4-octoxy-phenyl)-5-(3-fluorooctyl)pyridine Formula: C27H38F3NO MolecularWeight: 449.59193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=C2)CCC(CCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=C2)CCC(CCCCC)F)F)F

InChI

InChI=1S/C27H38F3NO/c1-3-5-7-8-9-11-19-32-25-18-16-23(26(29)27(25)30)24-17-14-21(20-31-24)13-15-22(28)12-10-6-4-2/h14,16-18,20,22H,3-13,15,19H2,1-2H3