4-[2,3,5,6-tetrakis(fluoranyl)-4-pentyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[2,3,5,6-tetrakis(fluoranyl)-4-pentyl-phenyl]benzenecarbonitrile Openeye Name: 4-(2,3,5,6-tetrafluoro-4-pentyl-phenyl)benzonitrile CAS Name: 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)benzonitrile IUPAC Name: 4-(2,3,5,6-tetrafluoro-4-pentylphenyl)benzonitrile Traditional Name: 4-(4-amyl-2,3,5,6-tetrafluoro-phenyl)benzonitrile Formula: C18H15F4N MolecularWeight: 321.312013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1F)F)C2=CC=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1F)F)C2=CC=C(C=C2)C#N)F)F

InChI

InChI=1S/C18H15F4N/c1-2-3-4-5-13-15(19)17(21)14(18(22)16(13)20)12-8-6-11(10-23)7-9-12/h6-9H,2-5H2,1H3