1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene

Systemtic Name: 1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene Openeye Name: 1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene CAS Name: 1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene IUPAC Name: 1,4-bis[4-(4-dodecoxyphenyl)-2-[2-(4-dodecoxyphenyl)ethynyl]but-1-en-3-ynyl]benzene Traditional Name: 1,4-bis[4-(4-lauryloxyphenyl)-2-[2-(4-lauryloxyphenyl)ethynyl]but-1-en-3-ynyl]benzene Formula: C90H122O4 MolecularWeight: 1267.92928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC(=CC2=CC=C(C=C2)C=C(C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)C#CC4=CC=C(C=C4)OCCCCCCCCCCCC)C#CC5=CC=C(C=C5)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC(=CC2=CC=C(C=C2)C=C(C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)C#CC4=CC=C(C=C4)OCCCCCCCCCCCC)C#CC5=CC=C(C=C5)OCCCCCCCCCCCC

InChI

InChI=1S/C90H122O4/c1-5-9-13-17-21-25-29-33-37-41-73-91-87-65-57-79(58-66-87)45-49-83(50-46-80-59-67-88(68-60-80)92-74-42-38-34-30-26-22-18-14-10-6-2)77-85-53-55-86(56-54-85)78-84(51-47-81-61-69-89(70-62-81)93-75-43-39-35-31-27-23-19-15-11-7-3)52-48-82-63-71-90(72-64-82)94-76-44-40-36-32-28-24-20-16-12-8-4/h53-72,77-78H,5-44,73-76H2,1-4H3