3,5-ditert-butyl-4-cyano-benzoate

Systemtic Name: 3,5-ditert-butyl-4-cyano-benzoate Openeye Name: 3,5-ditert-butyl-4-cyano-benzoate CAS Name: 3,5-ditert-butyl-4-cyanobenzoate IUPAC Name: 3,5-ditert-butyl-4-cyanobenzoate Traditional Name: 3,5-ditert-butyl-4-cyano-benzoate Formula: C16H20NO2- MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1C#N)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1C#N)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H21NO2/c1-15(2,3)12-7-10(14(18)19)8-13(11(12)9-17)16(4,5)6/h7-8H,1-6H3,(H,18,19)/p-1