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

Systemtic Name: 4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzenecarbonitrile Openeye Name: 4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzonitrile CAS Name: 4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzonitrile IUPAC Name: 4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzonitrile Traditional Name: 4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzonitrile Formula: C25H25NO MolecularWeight: 355.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H25NO/c1-2-3-4-5-6-9-20-27-25-18-16-23(17-19-25)11-8-7-10-22-12-14-24(21-26)15-13-22/h12-19H,2-6,9,20H2,1H3