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

Systemtic Name: 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 1-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:

CCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C

InChI

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