3-(3,5-ditert-butyl-2-heptoxy-phenyl)butanenitrile

Systemtic Name: 3-(3,5-ditert-butyl-2-heptoxy-phenyl)butanenitrile Openeye Name: 3-(3,5-ditert-butyl-2-heptoxy-phenyl)butanenitrile CAS Name: 3-(3,5-ditert-butyl-2-heptoxyphenyl)butanenitrile IUPAC Name: 3-(3,5-ditert-butyl-2-heptoxyphenyl)butanenitrile Traditional Name: 3-(3,5-ditert-butyl-2-heptoxy-phenyl)butyronitrile Formula: C25H41NO MolecularWeight: 371.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)CC#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)CC#N

InChI

InChI=1S/C25H41NO/c1-9-10-11-12-13-16-27-23-21(19(2)14-15-26)17-20(24(3,4)5)18-22(23)25(6,7)8/h17-19H,9-14,16H2,1-8H3