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

Systemtic Name: 1-butyl-4-(4-ethynylphenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 1-butyl-4-(4-ethynylphenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 1-butyl-4-(4-ethynylphenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-(4-ethynylphenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 1-butyl-4-(4-ethynylphenyl)-2-methyl-3,5,8-trioxabicyclo[2.2.2]octane Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12COC(OC1)(OC2C)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCC12COC(OC1)(OC2C)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C18H22O3/c1-4-6-11-17-12-19-18(20-13-17,21-14(17)3)16-9-7-15(5-2)8-10-16/h2,7-10,14H,4,6,11-13H2,1,3H3