N5,N6-bis(3,4-diethylphenyl)tetratriacont-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis(3,4-diethylphenyl)tetratriacont-7-yne-5,6-diimine Openeye Name: N5,N6-bis(3,4-diethylphenyl)tetratriacont-7-yne-5,6-diimine CAS Name: N5,N6-bis(3,4-diethylphenyl)-7-tetratriacontyne-5,6-diimine IUPAC Name: 5-N,6-N-bis(3,4-diethylphenyl)tetratriacont-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-(3,4-diethylphenyl)carbonimidoyl]nonacos-2-ynylidene-(3,4-diethylphenyl)amine Formula: C54H88N2 MolecularWeight: 765.28992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H88N2/c1-7-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-54(56-52-44-42-48(10-4)50(12-6)46-52)53(39-14-8-2)55-51-43-41-47(9-3)49(11-5)45-51/h41-46H,7-37,39H2,1-6H3