1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[2-(4-amylphenyl)ethynyl]benzene Formula: C84H90 MolecularWeight: 1099.6134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCC)C#CC4=CC=C(C=C4)CCCCC)C#CC5=CC=C(C=C5)CCCCC)C#CC6=CC=C(C=C6)CCCCC)C#CC7=CC=C(C=C7)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCC)C#CC4=CC=C(C=C4)CCCCC)C#CC5=CC=C(C=C5)CCCCC)C#CC6=CC=C(C=C6)CCCCC)C#CC7=CC=C(C=C7)CCCCC

InChI

InChI=1S/C84H90/c1-7-13-19-25-67-31-43-73(44-32-67)55-61-79-80(62-56-74-45-33-68(34-46-74)26-20-14-8-2)82(64-58-76-49-37-70(38-50-76)28-22-16-10-4)84(66-60-78-53-41-72(42-54-78)30-24-18-12-6)83(65-59-77-51-39-71(40-52-77)29-23-17-11-5)81(79)63-57-75-47-35-69(36-48-75)27-21-15-9-3/h31-54H,7-30H2,1-6H3