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

Systemtic Name: 1,6-bis[2-[2,5-bis(2-ethylhexoxy)-4-ethynyl-phenyl]ethynyl]pyrene Openeye Name: 1,6-bis[2-[2,5-bis(2-ethylhexoxy)-4-ethynyl-phenyl]ethynyl]pyrene CAS Name: 1,6-bis[2-[2,5-bis(2-ethylhexoxy)-4-ethynylphenyl]ethynyl]pyrene IUPAC Name: 1,6-bis[2-[2,5-bis(2-ethylhexoxy)-4-ethynylphenyl]ethynyl]pyrene Traditional Name: 1,6-bis[2-[2,5-bis(2-ethylhexoxy)-4-ethynyl-phenyl]ethynyl]pyrene Formula: C68H82O4 MolecularWeight: 963.37628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=C(C=C1C#C)OCC(CC)CCCC)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C=C(C(=C6)OCC(CC)CCCC)C#C)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC1=CC(=C(C=C1C#C)OCC(CC)CCCC)C#CC2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C#CC6=C(C=C(C(=C6)OCC(CC)CCCC)C#C)OCC(CC)CCCC

InChI

InChI=1S/C68H82O4/c1-11-21-25-49(15-5)45-69-63-43-59(65(41-53(63)19-9)71-47-51(17-7)27-23-13-3)35-31-55-29-33-57-38-40-62-56(30-34-58-37-39-61(55)67(57)68(58)62)32-36-60-44-64(70-46-50(16-6)26-22-12-2)54(20-10)42-66(60)72-48-52(18-8)28-24-14-4/h9-10,29-30,33-34,37-44,49-52H,11-18,21-28,45-48H2,1-8H3