N5,N6-bis[2-[(E)-tricos-4-enyl]phenyl]hexacos-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis[2-[(E)-tricos-4-enyl]phenyl]hexacos-7-yne-5,6-diimine Openeye Name: N5,N6-bis[2-[(E)-tricos-4-enyl]phenyl]hexacos-7-yne-5,6-diimine CAS Name: N5,N6-bis[2-[(E)-tricos-4-enyl]phenyl]-7-hexacosyne-5,6-diimine IUPAC Name: 5-N,6-N-bis[2-[(E)-tricos-4-enyl]phenyl]hexacos-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-[2-[(E)-tricos-4-enyl]phenyl]carbonimidoyl]heneicos-2-ynylidene-[2-[(E)-tricos-4-enyl]phenyl]amine Formula: C84H144N2 MolecularWeight: 1182.05556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC=CCCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCCC=CCCCCCCCCCCCCCCCCCC)C#CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC/C=C/CCCC1=CC=CC=C1N=C(CCCC)C(=NC2=CC=CC=C2CCC/C=C/CCCCCCCCCCCCCCCCCC)C#CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C84H144N2/c1-5-9-13-16-19-22-25-28-31-34-37-39-41-43-46-49-52-55-58-61-64-71-79-73-67-69-76-81(79)85-83(75-12-8-4)84(78-66-63-60-57-54-51-48-45-36-33-30-27-24-21-18-15-11-7-3)86-82-77-70-68-74-80(82)72-65-62-59-56-53-50-47-44-42-40-38-35-32-29-26-23-20-17-14-10-6-2/h55-56,58-59,67-70,73-74,76-77H,5-54,57,60-65,71-72,75H2,1-4H3/b58-55+,59-56+,85-83?,86-84?