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

Systemtic Name: 3,5-bis[2-(3,4-didodecoxyphenyl)ethynyl]benzaldehyde Openeye Name: 3,5-bis[2-(3,4-didodecoxyphenyl)ethynyl]benzaldehyde CAS Name: 3,5-bis[2-(3,4-didodecoxyphenyl)ethynyl]benzaldehyde IUPAC Name: 3,5-bis[2-(3,4-didodecoxyphenyl)ethynyl]benzaldehyde Traditional Name: 3,5-bis[2-(3,4-dilauryloxyphenyl)ethynyl]benzaldehyde Formula: C71H110O5 MolecularWeight: 1043.6301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C71H110O5/c1-5-9-13-17-21-25-29-33-37-41-53-73-68-51-49-63(60-70(68)75-55-43-39-35-31-27-23-19-15-11-7-3)45-47-65-57-66(59-67(58-65)62-72)48-46-64-50-52-69(74-54-42-38-34-30-26-22-18-14-10-6-2)71(61-64)76-56-44-40-36-32-28-24-20-16-12-8-4/h49-52,57-62H,5-44,53-56H2,1-4H3