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

Systemtic Name: 4-[4-(4-tetradecoxyphenyl)buta-1,3-diynyl]benzenecarbonitrile Openeye Name: 4-[4-(4-tetradecoxyphenyl)buta-1,3-diynyl]benzonitrile CAS Name: 4-[4-(4-tetradecoxyphenyl)buta-1,3-diynyl]benzonitrile IUPAC Name: 4-[4-(4-tetradecoxyphenyl)buta-1,3-diynyl]benzonitrile Traditional Name: 4-[4-(4-myristyloxyphenyl)buta-1,3-diynyl]benzonitrile Formula: C31H37NO MolecularWeight: 439.63158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C31H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-26-33-31-24-22-29(23-25-31)17-14-13-16-28-18-20-30(27-32)21-19-28/h18-25H,2-12,15,26H2,1H3