6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butylazulen-1-yl)ethynyl]azulen-1-yl]buta-1,3-diynyl]azulene

Systemtic Name: 6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butylazulen-1-yl)ethynyl]azulen-1-yl]buta-1,3-diynyl]azulene Openeye Name: 6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butylazulen-1-yl)ethynyl]azulen-1-yl]buta-1,3-diynyl]azulene CAS Name: 6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butyl-1-azulenyl)ethynyl]-1-azulenyl]buta-1,3-diynyl]azulene IUPAC Name: 6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butylazulen-1-yl)ethynyl]azulen-1-yl]buta-1,3-diynyl]azulene Traditional Name: 6-tert-butyl-1,3-bis[4-[6-tert-butyl-3-[2-(6-tert-butylazulen-1-yl)ethynyl]azulen-1-yl]buta-1,3-diynyl]azulene Formula: C82H72 MolecularWeight: 1057.44908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)C#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC#CC5=CC(=C6C5=CC=C(C=C6)C(C)(C)C)C#CC#CC7=C8C=CC(=CC=C8C(=C7)C#CC9=C1C=CC(=CC=C1C=C9)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)C#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC#CC5=CC(=C6C5=CC=C(C=C6)C(C)(C)C)C#CC#CC7=C8C=CC(=CC=C8C(=C7)C#CC9=C1C=CC(=CC=C1C=C9)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C82H72/c1-78(2,3)65-34-32-57-26-24-55(70(57)44-36-65)28-30-63-53-61(74-48-40-68(81(10,11)12)42-50-76(63)74)22-18-16-20-59-52-60(73-47-39-67(80(7,8)9)38-46-72(59)73)21-17-19-23-62-54-64(77-51-43-69(82(13,14)15)41-49-75(62)77)31-29-56-25-27-58-33-35-66(79(4,5)6)37-45-71(56)58/h24-27,32-54H,1-15H3