(E)-N4,N5-bis(3,4-dibutylphenyl)heptadec-6-en-2-yne-4,5-diimine

Systemtic Name: (E)-N4,N5-bis(3,4-dibutylphenyl)heptadec-6-en-2-yne-4,5-diimine Openeye Name: (E)-N4,N5-bis(3,4-dibutylphenyl)heptadec-6-en-2-yne-4,5-diimine CAS Name: (E)-N4,N5-bis(3,4-dibutylphenyl)heptadec-6-en-2-yne-4,5-diimine IUPAC Name: (E)-4-N,5-N-bis(3,4-dibutylphenyl)heptadec-6-en-2-yne-4,5-diimine Traditional Name: (3,4-dibutylphenyl)-[(E)-2-(3,4-dibutylphenyl)imino-1-prop-1-ynyl-tetradec-3-enylidene]amine Formula: C45H68N2 MolecularWeight: 637.03482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC/C=C/C(=NC1=CC(=C(C=C1)CCCC)CCCC)C(=NC2=CC(=C(C=C2)CCCC)CCCC)C#CC

InChI

InChI=1S/C45H68N2/c1-7-13-18-19-20-21-22-23-24-25-31-45(47-43-35-33-39(28-15-9-3)41(37-43)30-17-11-5)44(26-12-6)46-42-34-32-38(27-14-8-2)40(36-42)29-16-10-4/h25,31-37H,7-11,13-24,27-30H2,1-6H3/b31-25+,46-44?,47-45?