3-(2,5-ditert-butyl-4-octyl-phenoxy)propanenitrile

Systemtic Name: 3-(2,5-ditert-butyl-4-octyl-phenoxy)propanenitrile Openeye Name: 3-(2,5-ditert-butyl-4-octyl-phenoxy)propanenitrile CAS Name: 3-(2,5-ditert-butyl-4-octylphenoxy)propanenitrile IUPAC Name: 3-(2,5-ditert-butyl-4-octylphenoxy)propanenitrile Traditional Name: 3-(2,5-ditert-butyl-4-octyl-phenoxy)propionitrile Formula: C25H41NO MolecularWeight: 371.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1C(C)(C)C)OCCC#N)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1C(C)(C)C)OCCC#N)C(C)(C)C

InChI

InChI=1S/C25H41NO/c1-8-9-10-11-12-13-15-20-18-22(25(5,6)7)23(27-17-14-16-26)19-21(20)24(2,3)4/h18-19H,8-15,17H2,1-7H3