3-[2-(2,5-didodecoxy-4-iodanyl-phenyl)ethynyl]-1,10-phenanthroline

Systemtic Name: 3-[2-(2,5-didodecoxy-4-iodanyl-phenyl)ethynyl]-1,10-phenanthroline Openeye Name: 3-[2-(2,5-didodecoxy-4-iodo-phenyl)ethynyl]-1,10-phenanthroline CAS Name: 3-[2-(2,5-didodecoxy-4-iodophenyl)ethynyl]-1,10-phenanthroline IUPAC Name: 3-[2-(2,5-didodecoxy-4-iodophenyl)ethynyl]-1,10-phenanthroline Traditional Name: 3-[2-(4-iodo-2,5-dilauryloxy-phenyl)ethynyl]-1,10-phenanthroline Formula: C44H59IN2O2 MolecularWeight: 774.85593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC3=C(C4=C(C=CC=N4)C=C3)N=C2)OCCCCCCCCCCCC)I

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC3=C(C4=C(C=CC=N4)C=C3)N=C2)OCCCCCCCCCCCC)I

InChI

InChI=1S/C44H59IN2O2/c1-3-5-7-9-11-13-15-17-19-21-30-48-41-34-40(45)42(49-31-22-20-18-16-14-12-10-8-6-4-2)33-38(41)26-25-36-32-39-28-27-37-24-23-29-46-43(37)44(39)47-35-36/h23-24,27-29,32-35H,3-22,30-31H2,1-2H3