N5,N6-bis(3,5-dibutylphenyl)hexacos-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis(3,5-dibutylphenyl)hexacos-7-yne-5,6-diimine Openeye Name: N5,N6-bis(3,5-dibutylphenyl)hexacos-7-yne-5,6-diimine CAS Name: N5,N6-bis(3,5-dibutylphenyl)-7-hexacosyne-5,6-diimine IUPAC Name: 5-N,6-N-bis(3,5-dibutylphenyl)hexacos-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-(3,5-dibutylphenyl)carbonimidoyl]heneicos-2-ynylidene-(3,5-dibutylphenyl)amine Formula: C54H88N2 MolecularWeight: 765.28992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H88N2/c1-7-13-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-40-54(56-52-45-49(37-16-10-4)42-50(46-52)38-17-11-5)53(39-18-12-6)55-51-43-47(35-14-8-2)41-48(44-51)36-15-9-3/h41-46H,7-33,35-39H2,1-6H3