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

Systemtic Name: 2-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 2-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 2-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 2-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 2-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2COC(O1)(OC2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCC1C2COC(O1)(OC2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C17H20O3/c1-3-5-6-16-14-11-18-17(20-16,19-12-14)15-9-7-13(4-2)8-10-15/h2,7-10,14,16H,3,5-6,11-12H2,1H3