1-bromanyl-4-[2-[4-[2-[2,5-didodecoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didodecoxy-benzene

Systemtic Name: 1-bromanyl-4-[2-[4-[2-[2,5-didodecoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didodecoxy-benzene Openeye Name: 1-bromo-4-[2-[4-[2-[2,5-didodecoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didodecoxy-benzene CAS Name: 1-bromo-4-[2-[4-[2-[2,5-didodecoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didodecoxybenzene IUPAC Name: 1-bromo-4-[2-[4-[2-[2,5-didodecoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didodecoxybenzene Traditional Name: 1-bromo-4-[2-[4-[2-[4-[2-(4-iodophenyl)ethynyl]-2,5-dilauryloxy-phenyl]ethynyl]phenyl]ethynyl]-2,5-dilauryloxy-benzene Formula: C78H112BrIO4 MolecularWeight: 1320.52995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)C#CC3=CC(=C(C=C3OCCCCCCCCCCCC)Br)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C#CC4=CC=C(C=C4)I

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)C#CC3=CC(=C(C=C3OCCCCCCCCCCCC)Br)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C#CC4=CC=C(C=C4)I

InChI

InChI=1S/C78H112BrIO4/c1-5-9-13-17-21-25-29-33-37-41-59-81-75-64-71(55-51-69-52-57-73(80)58-53-69)76(82-60-42-38-34-30-26-22-18-14-10-6-2)63-70(75)54-49-67-45-47-68(48-46-67)50-56-72-65-78(84-62-44-40-36-32-28-24-20-16-12-8-4)74(79)66-77(72)83-61-43-39-35-31-27-23-19-15-11-7-3/h45-48,52-53,57-58,63-66H,5-44,59-62H2,1-4H3