2-fluoranyl-6-[4-(4-octoxyphenyl)phenyl]-3-pentyl-benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-octoxyphenyl)phenyl]-3-pentyl-benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-octoxyphenyl)phenyl]-3-pentyl-benzonitrile CAS Name: 2-fluoro-6-[4-(4-octoxyphenyl)phenyl]-3-pentylbenzonitrile IUPAC Name: 2-fluoro-6-[4-(4-octoxyphenyl)phenyl]-3-pentylbenzonitrile Traditional Name: 3-amyl-2-fluoro-6-[4-(4-octoxyphenyl)phenyl]benzonitrile Formula: C32H38FNO MolecularWeight: 471.648623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCC)F)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCCCC)F)C#N

InChI

InChI=1S/C32H38FNO/c1-3-5-7-8-9-11-23-35-29-20-17-26(18-21-29)25-13-15-27(16-14-25)30-22-19-28(12-10-6-4-2)32(33)31(30)24-34/h13-22H,3-12,23H2,1-2H3