5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: 5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile Openeye Name: 5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile CAS Name: 5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile IUPAC Name: 5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile Traditional Name: 5-tert-butyl-3-phenyl-1,2,4-trioxolane-3-carbonitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OC(OO1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1OC(OO1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-12(2,3)11-15-13(9-14,17-16-11)10-7-5-4-6-8-10/h4-8,11H,1-3H3