2-cyclohexyl-2-[4-[4-(8-oxidanylocta-1,3,5,7-tetraynyl)phenyl]phenyl]ethanenitrile

Systemtic Name: 2-cyclohexyl-2-[4-[4-(8-oxidanylocta-1,3,5,7-tetraynyl)phenyl]phenyl]ethanenitrile Openeye Name: 2-cyclohexyl-2-[4-[4-(8-hydroxyocta-1,3,5,7-tetraynyl)phenyl]phenyl]acetonitrile CAS Name: 2-cyclohexyl-2-[4-[4-(8-hydroxyocta-1,3,5,7-tetraynyl)phenyl]phenyl]acetonitrile IUPAC Name: 2-cyclohexyl-2-[4-[4-(8-hydroxyocta-1,3,5,7-tetraynyl)phenyl]phenyl]acetonitrile Traditional Name: 2-cyclohexyl-2-[4-[4-(8-hydroxyocta-1,3,5,7-tetraynyl)phenyl]phenyl]acetonitrile Formula: C28H21NO MolecularWeight: 387.47244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CC#CC#CC#CO

Isomeric SMILES

C1CCC(CC1)C(C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CC#CC#CC#CO

InChI

InChI=1S/C28H21NO/c29-22-28(26-11-7-5-8-12-26)27-19-17-25(18-20-27)24-15-13-23(14-16-24)10-6-3-1-2-4-9-21-30/h13-20,26,28,30H,5,7-8,11-12H2