4-hex-5-ynyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 4-hex-5-ynyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-hex-5-ynyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-hex-5-ynyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-hex-5-ynyl-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-hex-5-ynyl-1-phenyl-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:

C#CCCCCC12OCC(CO1)(C(O2)C#N)C3=CC=CC=C3

Isomeric SMILES

C#CCCCCC12OCC(CO1)(C(O2)C#N)C3=CC=CC=C3

InChI

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