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

Systemtic Name: 4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzenecarbonitrile Openeye Name: 4-[1-(1-methylallyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]benzonitrile CAS Name: 4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile IUPAC Name: 4-(1-but-3-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile Traditional Name: 4-[1-(1-methylallyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]benzonitrile Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C=C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17NO3/c1-3-12(2)15-9-18-16(19-10-15,20-11-15)14-6-4-13(8-17)5-7-14/h3-7,12H,1,9-11H2,2H3