4-[4-(4-dodecoxyphenyl)buta-1,3-diynyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-dodecoxyphenyl)buta-1,3-diynyl]benzenecarbonitrile Openeye Name: 4-[4-(4-dodecoxyphenyl)buta-1,3-diynyl]benzonitrile CAS Name: 4-[4-(4-dodecoxyphenyl)buta-1,3-diynyl]benzonitrile IUPAC Name: 4-[4-(4-dodecoxyphenyl)buta-1,3-diynyl]benzonitrile Traditional Name: 4-[4-(4-lauryloxyphenyl)buta-1,3-diynyl]benzonitrile Formula: C29H33NO MolecularWeight: 411.57842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C29H33NO/c1-2-3-4-5-6-7-8-9-10-13-24-31-29-22-20-27(21-23-29)15-12-11-14-26-16-18-28(25-30)19-17-26/h16-23H,2-10,13,24H2,1H3