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

Systemtic Name: 1,2,3,4,5,6-hexakis[2-(4-ethynylphenyl)ethynyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[2-(4-ethynylphenyl)ethynyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[2-(4-ethynylphenyl)ethynyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-ethynylphenyl)ethynyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[2-(4-ethynylphenyl)ethynyl]benzene Formula: C66H30 MolecularWeight: 822.9444

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)C#C)C#CC4=CC=C(C=C4)C#C)C#CC5=CC=C(C=C5)C#C)C#CC6=CC=C(C=C6)C#C)C#CC7=CC=C(C=C7)C#C

Isomeric SMILES

C#CC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)C#C)C#CC4=CC=C(C=C4)C#C)C#CC5=CC=C(C=C5)C#C)C#CC6=CC=C(C=C6)C#C)C#CC7=CC=C(C=C7)C#C

InChI

InChI=1S/C66H30/c1-7-49-13-25-55(26-14-49)37-43-61-62(44-38-56-27-15-50(8-2)16-28-56)64(46-40-58-31-19-52(10-4)20-32-58)66(48-42-60-35-23-54(12-6)24-36-60)65(47-41-59-33-21-53(11-5)22-34-59)63(61)45-39-57-29-17-51(9-3)18-30-57/h1-6,13-36H