2,6-dimethyl-4-[2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 2,6-dimethyl-4-[2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 2,6-dimethyl-4-[2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile CAS Name: 2,6-dimethyl-4-[2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile IUPAC Name: 2,6-dimethyl-4-[2-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile Traditional Name: 4-[2-[4-[2-(4-amoxyphenyl)ethynyl]phenyl]ethynyl]-2,6-dimethyl-benzonitrile Formula: C30H27NO MolecularWeight: 417.54148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=C(C(=C3)C)C#N)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=C(C(=C3)C)C#N)C

InChI

InChI=1S/C30H27NO/c1-4-5-6-19-32-29-17-15-27(16-18-29)12-11-25-7-9-26(10-8-25)13-14-28-20-23(2)30(22-31)24(3)21-28/h7-10,15-18,20-21H,4-6,19H2,1-3H3