(Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)but-2-enenitrile

Systemtic Name: (Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)but-2-enenitrile Openeye Name: (Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)but-2-enenitrile CAS Name: (Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)-2-butenenitrile IUPAC Name: (Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)but-2-enenitrile Traditional Name: (Z)-4,4,4-trideuterio-3-(3,5-ditert-butylphenyl)but-2-enenitrile Formula: C18H25N MolecularWeight: 259.40894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

[2H][13C]([2H])([2H])/C(=C\C#N)/C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C18H25N/c1-13(8-9-19)14-10-15(17(2,3)4)12-16(11-14)18(5,6)7/h8,10-12H,1-7H3/b13-8+/i1+1D3