(E)-3-(3,5-ditert-butyl-2-heptoxy-phenyl)but-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-2-heptoxy-phenyl)but-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-2-heptoxy-phenyl)but-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-2-heptoxyphenyl)-2-butenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-2-heptoxyphenyl)but-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-2-heptoxy-phenyl)but-2-enenitrile Formula: C25H39NO MolecularWeight: 369.58326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1/C(=C/C#N)/C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H39NO/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/h14,17-18H,9-13,16H2,1-8H3/b19-14+