1,3-bis[2-(3,4-didodecoxyphenyl)ethynyl]-5-ethynyl-benzene

Systemtic Name: 1,3-bis[2-(3,4-didodecoxyphenyl)ethynyl]-5-ethynyl-benzene Openeye Name: 1,3-bis[2-(3,4-didodecoxyphenyl)ethynyl]-5-ethynyl-benzene CAS Name: 1,3-bis[2-(3,4-didodecoxyphenyl)ethynyl]-5-ethynylbenzene IUPAC Name: 1,3-bis[2-(3,4-didodecoxyphenyl)ethynyl]-5-ethynylbenzene Traditional Name: 1,3-bis[2-(3,4-dilauryloxyphenyl)ethynyl]-5-ethynyl-benzene Formula: C72H110O4 MolecularWeight: 1039.6414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC(=CC(=C2)C#C)C#CC3=CC(=C(C=C3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC(=CC(=C2)C#C)C#CC3=CC(=C(C=C3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

InChI

InChI=1S/C72H110O4/c1-6-11-15-19-23-27-31-35-39-43-55-73-69-53-51-65(62-71(69)75-57-45-41-37-33-29-25-21-17-13-8-3)47-49-67-59-64(10-5)60-68(61-67)50-48-66-52-54-70(74-56-44-40-36-32-28-24-20-16-12-7-2)72(63-66)76-58-46-42-38-34-30-26-22-18-14-9-4/h5,51-54,59-63H,6-9,11-46,55-58H2,1-4H3