1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene

Systemtic Name: 1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene Openeye Name: 1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene CAS Name: 1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene IUPAC Name: 1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene Traditional Name: 1-tert-butyl-4-[1,1,6,6,6-pentakis(4-tert-butylphenyl)hexa-2,4-diynyl]benzene Formula: C66H78 MolecularWeight: 871.32552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C#CC#CC(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)(C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C#CC#CC(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)(C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C66H78/c1-59(2,3)47-21-33-53(34-22-47)65(54-35-23-48(24-36-54)60(4,5)6,55-37-25-49(26-38-55)61(7,8)9)45-19-20-46-66(56-39-27-50(28-40-56)62(10,11)12,57-41-29-51(30-42-57)63(13,14)15)58-43-31-52(32-44-58)64(16,17)18/h21-44H,1-18H3