4-(2-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzenecarbonitrile

Systemtic Name: 4-(2-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzenecarbonitrile Openeye Name: 4-(2-ethynyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile CAS Name: 4-(2-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile IUPAC Name: 4-(2-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile Traditional Name: 4-(2-ethynyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3/c1-4-15-16(12(2)3)10-19-17(21-15,20-11-16)14-7-5-13(9-18)6-8-14/h1,5-8,12,15H,10-11H2,2-3H3