4-[2-[2,3-didodecoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine

Systemtic Name: 4-[2-[2,3-didodecoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine Openeye Name: 4-[2-[2,3-didodecoxy-4-[2-(4-pyridyl)ethynyl]phenyl]ethynyl]pyridine CAS Name: 4-[2-[2,3-didodecoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine IUPAC Name: 4-[2-[2,3-didodecoxy-4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine Traditional Name: 4-[2-[2,3-dilauryloxy-4-[2-(4-pyridyl)ethynyl]phenyl]ethynyl]pyridine Formula: C44H60N2O2 MolecularWeight: 648.9594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1OCCCCCCCCCCCC)C#CC2=CC=NC=C2)C#CC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1OCCCCCCCCCCCC)C#CC2=CC=NC=C2)C#CC3=CC=NC=C3

InChI

InChI=1S/C44H60N2O2/c1-3-5-7-9-11-13-15-17-19-21-37-47-43-41(25-23-39-29-33-45-34-30-39)27-28-42(26-24-40-31-35-46-36-32-40)44(43)48-38-22-20-18-16-14-12-10-8-6-4-2/h27-36H,3-22,37-38H2,1-2H3