1,6-bis[2-(2,4-didodecoxy-5-ethynyl-phenyl)ethynyl]pyrene

Systemtic Name: 1,6-bis[2-(2,4-didodecoxy-5-ethynyl-phenyl)ethynyl]pyrene Openeye Name: 1,6-bis[2-(2,4-didodecoxy-5-ethynyl-phenyl)ethynyl]pyrene CAS Name: 1,6-bis[2-(2,4-didodecoxy-5-ethynylphenyl)ethynyl]pyrene IUPAC Name: 1,6-bis[2-(2,4-didodecoxy-5-ethynylphenyl)ethynyl]pyrene Traditional Name: 1,6-bis[2-(5-ethynyl-2,4-dilauryloxy-phenyl)ethynyl]pyrene Formula: C84H114O4 MolecularWeight: 1187.80156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C#C)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C=C(C(=C6)C#C)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C#C)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C=C(C(=C6)C#C)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C84H114O4/c1-7-13-17-21-25-29-33-37-41-45-61-85-79-67-81(87-63-47-43-39-35-31-27-23-19-15-9-3)75(65-69(79)11-5)55-51-71-49-53-73-58-60-78-72(50-54-74-57-59-77(71)83(73)84(74)78)52-56-76-66-70(12-6)80(86-62-46-42-38-34-30-26-22-18-14-8-2)68-82(76)88-64-48-44-40-36-32-28-24-20-16-10-4/h5-6,49-50,53-54,57-60,65-68H,7-10,13-48,61-64H2,1-4H3