N5,N6-bis(2-nonacos-3-ynylphenyl)tridec-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis(2-nonacos-3-ynylphenyl)tridec-7-yne-5,6-diimine Openeye Name: N5,N6-bis(2-nonacos-3-ynylphenyl)tridec-7-yne-5,6-diimine CAS Name: N5,N6-bis(2-nonacos-3-ynylphenyl)-7-tridecyne-5,6-diimine IUPAC Name: 5-N,6-N-bis(2-nonacos-3-ynylphenyl)tridec-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-(2-nonacos-3-ynylphenyl)carbonimidoyl]oct-2-ynylidene-(2-nonacos-3-ynylphenyl)amine Formula: C83H138N2 MolecularWeight: 1163.99722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCCCC)C#CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCCCC)C#CCCCCC

InChI

InChI=1S/C83H138N2/c1-5-9-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-61-63-70-78-72-66-68-75-80(78)84-82(74-12-8-4)83(77-65-60-15-11-7-3)85-81-76-69-67-73-79(81)71-64-62-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-10-6-2/h66-69,72-73,75-76H,5-57,60,63-64,70-71,74H2,1-4H3