1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12COC(OC1)(OC2C#N)C3=CC=C(C=C3)C#C

Isomeric SMILES

CC(C)(C)C12COC(OC1)(OC2C#N)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C18H19NO3/c1-5-13-6-8-14(9-7-13)18-20-11-17(12-21-18,16(2,3)4)15(10-19)22-18/h1,6-9,15H,11-12H2,2-4H3