1,6-bis[2-(2,3-didodecoxy-4-ethynyl-phenyl)ethynyl]pyrene

Systemtic Name: 1,6-bis[2-(2,3-didodecoxy-4-ethynyl-phenyl)ethynyl]pyrene Openeye Name: 1,6-bis[2-(2,3-didodecoxy-4-ethynyl-phenyl)ethynyl]pyrene CAS Name: 1,6-bis[2-(2,3-didodecoxy-4-ethynylphenyl)ethynyl]pyrene IUPAC Name: 1,6-bis[2-(2,3-didodecoxy-4-ethynylphenyl)ethynyl]pyrene Traditional Name: 1,6-bis[2-(4-ethynyl-2,3-dilauryloxy-phenyl)ethynyl]pyrene Formula: C84H114O4 MolecularWeight: 1187.80156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1OCCCCCCCCCCCC)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C(=C(C=C6)C#C)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C#C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1OCCCCCCCCCCCC)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C(=C(C=C6)C#C)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C#C

InChI

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