N9,N10-bis(2-heptacos-3-ynylphenyl)hexatriacont-11-yne-9,10-diimine

Systemtic Name: N9,N10-bis(2-heptacos-3-ynylphenyl)hexatriacont-11-yne-9,10-diimine Openeye Name: N9,N10-bis(2-heptacos-3-ynylphenyl)hexatriacont-11-yne-9,10-diimine CAS Name: N9,N10-bis(2-heptacos-3-ynylphenyl)-11-hexatriacontyne-9,10-diimine IUPAC Name: 9-N,10-N-bis(2-heptacos-3-ynylphenyl)hexatriacont-11-yne-9,10-diimine Traditional Name: (2-heptacos-3-ynylphenyl)-[2-(2-heptacos-3-ynylphenyl)imino-1-octyl-octacos-3-ynylidene]amine Formula: C102H176N2 MolecularWeight: 1430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC=CC=C1CCC#CCCCCCCCCCCCCCCCCCCCCCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC=CC=C1CCC#CCCCCCCCCCCCCCCCCCCCCCCC)C(=NC2=CC=CC=C2CCC#CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC

InChI

InChI=1S/C102H176N2/c1-5-9-13-17-21-24-27-30-33-36-39-42-45-48-50-53-56-59-62-65-68-71-74-77-81-89-97-91-85-87-93-99(97)103-101(95-83-79-20-16-12-8-4)102(96-84-80-76-73-70-67-64-61-58-55-52-47-44-41-38-35-32-29-26-23-19-15-11-7-3)104-100-94-88-86-92-98(100)90-82-78-75-72-69-66-63-60-57-54-51-49-46-43-40-37-34-31-28-25-22-18-14-10-6-2/h85-88,91-94H,5-73,76,79-83,89-90,95H2,1-4H3