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

Systemtic Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-3-iodanyl-azulen-1-yl)buta-1,3-diynyl]azulene Openeye Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-3-iodo-azulen-1-yl)buta-1,3-diynyl]azulene CAS Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-3-iodo-1-azulenyl)buta-1,3-diynyl]azulene IUPAC Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-3-iodoazulen-1-yl)buta-1,3-diynyl]azulene Traditional Name: 6-tert-butyl-1,3-bis[4-(6-tert-butyl-3-iodo-azulen-1-yl)buta-1,3-diynyl]azulene Formula: C50H42I2 MolecularWeight: 896.67742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C#CC#CC3=C4C=CC(=CC=C4C(=C3)I)C(C)(C)C)C#CC#CC5=C6C=CC(=CC=C6C(=C5)I)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C#CC#CC3=C4C=CC(=CC=C4C(=C3)I)C(C)(C)C)C#CC#CC5=C6C=CC(=CC=C6C(=C5)I)C(C)(C)C)C=C1

InChI

InChI=1S/C50H42I2/c1-48(2,3)37-18-24-40-33(14-10-12-16-35-31-46(51)44-28-22-38(49(4,5)6)20-26-42(35)44)30-34(41(40)25-19-37)15-11-13-17-36-32-47(52)45-29-23-39(50(7,8)9)21-27-43(36)45/h18-32H,1-9H3