2-[[4-[2-[4-(didodecylamino)phenyl]ethynyl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[2-[4-(didodecylamino)phenyl]ethynyl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[2-[4-(didodecylamino)phenyl]ethynyl]phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[2-[4-(didodecylamino)phenyl]ethynyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[2-[4-(didodecylamino)phenyl]ethynyl]phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[2-[4-(dilaurylamino)phenyl]ethynyl]benzylidene]malononitrile Formula: C42H59N3 MolecularWeight: 605.93796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=C(C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=C(C#N)C#N

InChI

InChI=1S/C42H59N3/c1-3-5-7-9-11-13-15-17-19-21-33-45(34-22-20-18-16-14-12-10-8-6-4-2)42-31-29-39(30-32-42)24-23-38-25-27-40(28-26-38)35-41(36-43)37-44/h25-32,35H,3-22,33-34H2,1-2H3