(E)-N5,N6-bis(2-octacos-3-ynylphenyl)nonacos-7-ene-5,6-diimine

Systemtic Name: (E)-N5,N6-bis(2-octacos-3-ynylphenyl)nonacos-7-ene-5,6-diimine Openeye Name: (E)-N5,N6-bis(2-octacos-3-ynylphenyl)nonacos-7-ene-5,6-diimine CAS Name: (E)-N5,N6-bis(2-octacos-3-ynylphenyl)-7-nonacosene-5,6-diimine IUPAC Name: (E)-5-N,6-N-bis(2-octacos-3-ynylphenyl)nonacos-7-ene-5,6-diimine Traditional Name: [(E)-1-[C-butyl-N-(2-octacos-3-ynylphenyl)carbonimidoyl]tetracos-2-enylidene]-(2-octacos-3-ynylphenyl)amine Formula: C97H168N2 MolecularWeight: 1362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC#CCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCCC)/C=C/CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C97H168N2/c1-5-9-13-16-19-22-25-28-31-34-37-40-42-44-46-48-51-53-56-59-62-65-68-71-74-77-84-92-86-80-82-89-94(92)98-96(88-12-8-4)97(91-79-76-73-70-67-64-61-58-55-50-39-36-33-30-27-24-21-18-15-11-7-3)99-95-90-83-81-87-93(95)85-78-75-72-69-66-63-60-57-54-52-49-47-45-43-41-38-35-32-29-26-23-20-17-14-10-6-2/h79-83,86-87,89-91H,5-70,73,76-78,84-85,88H2,1-4H3/b91-79+,98-96?,99-97?