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

Systemtic Name: 6-tert-butyl-1,3-bis[4-(6-tert-butylazulen-1-yl)buta-1,3-diynyl]azulene Openeye Name: 6-tert-butyl-1,3-bis[4-(6-tert-butylazulen-1-yl)buta-1,3-diynyl]azulene CAS Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-1-azulenyl)buta-1,3-diynyl]azulene IUPAC Name: 6-tert-butyl-1,3-bis[4-(6-tert-butylazulen-1-yl)buta-1,3-diynyl]azulene Traditional Name: 6-tert-butyl-1,3-bis[4-(6-tert-butylazulen-1-yl)buta-1,3-diynyl]azulene Formula: C50H44 MolecularWeight: 644.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)C#CC#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC#CC5=C6C=CC(=CC=C6C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)C#CC#CC3=CC(=C4C3=CC=C(C=C4)C(C)(C)C)C#CC#CC5=C6C=CC(=CC=C6C=C5)C(C)(C)C

InChI

InChI=1S/C50H44/c1-48(2,3)41-24-22-37-20-18-35(44(37)30-26-41)14-10-12-16-39-34-40(47-33-29-43(50(7,8)9)28-32-46(39)47)17-13-11-15-36-19-21-38-23-25-42(49(4,5)6)27-31-45(36)38/h18-34H,1-9H3