N5-(3,4-diethylphenyl)-N6-(2-pentacos-3-ynylphenyl)dodecane-5,6-diimine

Systemtic Name: N5-(3,4-diethylphenyl)-N6-(2-pentacos-3-ynylphenyl)dodecane-5,6-diimine Openeye Name: N5-(3,4-diethylphenyl)-N6-(2-pentacos-3-ynylphenyl)dodecane-5,6-diimine CAS Name: N5-(3,4-diethylphenyl)-N6-(2-pentacos-3-ynylphenyl)dodecane-5,6-diimine IUPAC Name: 5-N-(3,4-diethylphenyl)-6-N-(2-pentacos-3-ynylphenyl)dodecane-5,6-diimine Traditional Name: 1-[C-butyl-N-(3,4-diethylphenyl)carbonimidoyl]heptylidene-(2-pentacos-3-ynylphenyl)amine Formula: C53H86N2 MolecularWeight: 751.26334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCCCC)C(=NC2=CC(=C(C=C2)CC)CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCCCC)C(=NC2=CC(=C(C=C2)CC)CC)CCCC

InChI

InChI=1S/C53H86N2/c1-6-11-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-39-49-40-37-38-42-51(49)55-53(43-36-15-12-7-2)52(41-13-8-3)54-50-45-44-47(9-4)48(10-5)46-50/h37-38,40,42,44-46H,6-32,35-36,39,41,43H2,1-5H3