2-[3,5-bis(cyanomethyl)-2,4,6-tris(3-methylbutyl)phenyl]ethanenitrile

Systemtic Name: 2-[3,5-bis(cyanomethyl)-2,4,6-tris(3-methylbutyl)phenyl]ethanenitrile Openeye Name: 2-[3,5-bis(cyanomethyl)-2,4,6-triisopentyl-phenyl]acetonitrile CAS Name: 2-[3,5-bis(cyanomethyl)-2,4,6-tris(3-methylbutyl)phenyl]acetonitrile IUPAC Name: 2-[3,5-bis(cyanomethyl)-2,4,6-tris(3-methylbutyl)phenyl]acetonitrile Traditional Name: 2-[3,5-bis(cyanomethyl)-2,4,6-triisoamyl-phenyl]acetonitrile Formula: C27H39N3 MolecularWeight: 405.61866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=C(C(=C1CC#N)CCC(C)C)CC#N)CCC(C)C)CC#N

Isomeric SMILES

CC(C)CCC1=C(C(=C(C(=C1CC#N)CCC(C)C)CC#N)CCC(C)C)CC#N

InChI

InChI=1S/C27H39N3/c1-19(2)7-10-22-25(13-16-28)23(11-8-20(3)4)27(15-18-30)24(12-9-21(5)6)26(22)14-17-29/h19-21H,7-15H2,1-6H3