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

Systemtic Name: 1,2-bis[2-(3,4-didodecoxyphenyl)ethynyl]-4-ethynyl-benzene Openeye Name: 1,2-bis[2-(3,4-didodecoxyphenyl)ethynyl]-4-ethynyl-benzene CAS Name: 1,2-bis[2-(3,4-didodecoxyphenyl)ethynyl]-4-ethynylbenzene IUPAC Name: 1,2-bis[2-(3,4-didodecoxyphenyl)ethynyl]-4-ethynylbenzene Traditional Name: 1,2-bis[2-(3,4-dilauryloxyphenyl)ethynyl]-4-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=C(C=C(C=C2)C#C)C#CC3=CC(=C(C=C3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC

Isomeric SMILES

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

InChI

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