3,5-ditert-butyl-3-tert-butylperoxy-6-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile

Systemtic Name: 3,5-ditert-butyl-3-tert-butylperoxy-6-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile Openeye Name: 3,5-ditert-butyl-3-tert-butylperoxy-6-oxo-cyclohexa-1,4-diene-1-carbonitrile CAS Name: 3,5-ditert-butyl-3-tert-butyldioxy-6-oxo-1-cyclohexa-1,4-dienecarbonitrile IUPAC Name: 3,5-ditert-butyl-3-tert-butylperoxy-6-oxocyclohexa-1,4-diene-1-carbonitrile Traditional Name: 3,5-ditert-butyl-3-tert-butylperoxy-6-keto-cyclohexa-1,4-diene-1-carbonitrile Formula: C19H29NO3 MolecularWeight: 319.43846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-16(2,3)14-11-19(17(4,5)6,23-22-18(7,8)9)10-13(12-20)15(14)21/h10-11H,1-9H3