2-[2,3-bis(fluoranyl)-4-heptyl-6-methyl-phenyl]-3-methyl-5-octoxy-benzenecarbonitrile

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptyl-6-methyl-phenyl]-3-methyl-5-octoxy-benzenecarbonitrile Openeye Name: 2-(2,3-difluoro-4-heptyl-6-methyl-phenyl)-3-methyl-5-octoxy-benzonitrile CAS Name: 2-(2,3-difluoro-4-heptyl-6-methylphenyl)-3-methyl-5-octoxybenzonitrile IUPAC Name: 2-(2,3-difluoro-4-heptyl-6-methylphenyl)-3-methyl-5-octoxybenzonitrile Traditional Name: 2-(2,3-difluoro-4-heptyl-6-methyl-phenyl)-3-methyl-5-octoxy-benzonitrile Formula: C30H41F2NO MolecularWeight: 469.649446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C(=C1)C#N)C2=C(C(=C(C=C2C)CCCCCCC)F)F)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C(=C1)C#N)C2=C(C(=C(C=C2C)CCCCCCC)F)F)C

InChI

InChI=1S/C30H41F2NO/c1-5-7-9-11-13-15-17-34-26-19-23(4)27(25(20-26)21-33)28-22(3)18-24(29(31)30(28)32)16-14-12-10-8-6-2/h18-20H,5-17H2,1-4H3