N5,N6-bis(3,5-diethylphenyl)hexatriacont-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis(3,5-diethylphenyl)hexatriacont-7-yne-5,6-diimine Openeye Name: N5,N6-bis(3,5-diethylphenyl)hexatriacont-7-yne-5,6-diimine CAS Name: N5,N6-bis(3,5-diethylphenyl)-7-hexatriacontyne-5,6-diimine IUPAC Name: 5-N,6-N-bis(3,5-diethylphenyl)hexatriacont-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-(3,5-diethylphenyl)carbonimidoyl]hentriacont-2-ynylidene-(3,5-diethylphenyl)amine Formula: C56H92N2 MolecularWeight: 793.34308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CC)CC)C(=NC2=CC(=CC(=C2)CC)CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CC)CC)C(=NC2=CC(=CC(=C2)CC)CC)CCCC

InChI

InChI=1S/C56H92N2/c1-7-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-56(58-54-47-51(11-5)44-52(12-6)48-54)55(41-14-8-2)57-53-45-49(9-3)43-50(10-4)46-53/h43-48H,7-39,41H2,1-6H3