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

Systemtic Name: 6-tert-butyl-1,3-bis[2-(6-tert-butyl-3-ethynyl-azulen-1-yl)ethynyl]azulene Openeye Name: 6-tert-butyl-1,3-bis[2-(6-tert-butyl-3-ethynyl-azulen-1-yl)ethynyl]azulene CAS Name: 6-tert-butyl-1,3-bis[2-(6-tert-butyl-3-ethynyl-1-azulenyl)ethynyl]azulene IUPAC Name: 6-tert-butyl-1,3-bis[2-(6-tert-butyl-3-ethynylazulen-1-yl)ethynyl]azulene Traditional Name: 6-tert-butyl-1,3-bis[2-(6-tert-butyl-3-ethynyl-azulen-1-yl)ethynyl]azulene Formula: C50H44 MolecularWeight: 644.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC5=CC(=C6C5=CC=C(C=C6)C(C)(C)C)C#C)C#C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC5=CC(=C6C5=CC=C(C=C6)C(C)(C)C)C#C)C#C)C=C1

InChI

InChI=1S/C50H44/c1-12-33-30-35(44-26-20-39(48(3,4)5)18-24-42(33)44)14-16-37-32-38(47-29-23-41(50(9,10)11)22-28-46(37)47)17-15-36-31-34(13-2)43-25-19-40(49(6,7)8)21-27-45(36)43/h1-2,18-32H,3-11H3