12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane

Systemtic Name: 12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane Openeye Name: 12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane CAS Name: 12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane IUPAC Name: 12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane Traditional Name: 12-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane Formula: C20H26O MolecularWeight: 282.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC2(C(O2)CCCC1)C#CC3=CC=CC=C3

Isomeric SMILES

C1CCCCCC2(C(O2)CCCC1)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H26O/c1-2-4-6-11-16-20(19(21-20)14-10-5-3-1)17-15-18-12-8-7-9-13-18/h7-9,12-13,19H,1-6,10-11,14,16H2