1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene

Systemtic Name: 1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene Openeye Name: 1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene CAS Name: 1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene IUPAC Name: 1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene Traditional Name: 1,4-bis(4-tert-butylphenyl)-2,5-bis[2-(4-tert-butylphenyl)ethynyl]benzene Formula: C50H54 MolecularWeight: 654.96376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C3=CC=C(C=C3)C(C)(C)C)C#CC4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2C3=CC=C(C=C3)C(C)(C)C)C#CC4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C50H54/c1-47(2,3)41-25-15-35(16-26-41)13-19-39-33-46(38-23-31-44(32-24-38)50(10,11)12)40(20-14-36-17-27-42(28-18-36)48(4,5)6)34-45(39)37-21-29-43(30-22-37)49(7,8)9/h15-18,21-34H,1-12H3