4-(4-octadeca-10,12-diynoxyphenyl)benzenecarbonitrile

Systemtic Name: 4-(4-octadeca-10,12-diynoxyphenyl)benzenecarbonitrile Openeye Name: 4-(4-octadeca-10,12-diynoxyphenyl)benzonitrile CAS Name: 4-(4-octadeca-10,12-diynoxyphenyl)benzonitrile IUPAC Name: 4-(4-octadeca-10,12-diynoxyphenyl)benzonitrile Traditional Name: 4-(4-octadeca-10,12-diynoxyphenyl)benzonitrile Formula: C31H37NO MolecularWeight: 439.63158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC#CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC#CC#CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

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