1,4-bis[2-(4-triacontan-4-yloxyphenyl)ethynyl]benzene

Systemtic Name: 1,4-bis[2-(4-triacontan-4-yloxyphenyl)ethynyl]benzene Openeye Name: 1,4-bis[2-[4-(1-propylheptacosoxy)phenyl]ethynyl]benzene CAS Name: 1,4-bis[2-(4-triacontan-4-yloxyphenyl)ethynyl]benzene IUPAC Name: 1,4-bis[2-(4-triacontan-4-yloxyphenyl)ethynyl]benzene Traditional Name: 1,4-bis[2-[4-(1-propylheptacosoxy)phenyl]ethynyl]benzene Formula: C82H134O2 MolecularWeight: 1151.94016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC(CCC)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(CCC)CCCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(CCC)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(CCC)CCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C82H134O2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57-79(55-7-3)83-81-71-67-77(68-72-81)65-63-75-59-61-76(62-60-75)64-66-78-69-73-82(74-70-78)84-80(56-8-4)58-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h59-62,67-74,79-80H,5-58H2,1-4H3