4-[3-[3,4-bis(fluoranyl)-7-heptyl-naphthalen-1-yl]phenyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)-7-heptyl-naphthalen-1-yl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[3-(3,4-difluoro-7-heptyl-1-naphthyl)phenyl]-2-fluoro-benzonitrile CAS Name: 4-[3-(3,4-difluoro-7-heptyl-1-naphthalenyl)phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[3-(3,4-difluoro-7-heptylnaphthalen-1-yl)phenyl]-2-fluorobenzonitrile Traditional Name: 4-[3-(3,4-difluoro-7-heptyl-1-naphthyl)phenyl]-2-fluoro-benzonitrile Formula: C30H26F3N MolecularWeight: 457.52935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C(=C(C=C2C3=CC=CC(=C3)C4=CC(=C(C=C4)C#N)F)F)F

InChI

InChI=1S/C30H26F3N/c1-2-3-4-5-6-8-20-11-14-25-27(15-20)26(18-29(32)30(25)33)23-10-7-9-21(16-23)22-12-13-24(19-34)28(31)17-22/h7,9-18H,2-6,8H2,1H3