9-(4-phenylhepta-1,6-diyn-4-yloxy)-9-borabicyclo[3.3.1]nonane

Systemtic Name: 9-(4-phenylhepta-1,6-diyn-4-yloxy)-9-borabicyclo[3.3.1]nonane Openeye Name: 9-(1-phenyl-1-prop-2-ynyl-but-3-ynoxy)-9-borabicyclo[3.3.1]nonane CAS Name: 9-(4-phenylhepta-1,6-diyn-4-yloxy)-9-borabicyclo[3.3.1]nonane IUPAC Name: 9-(4-phenylhepta-1,6-diyn-4-yloxy)-9-borabicyclo[3.3.1]nonane Traditional Name: 9-(1-phenyl-1-propargyl-but-3-ynoxy)-9-borabicyclo[3.3.1]nonane Formula: C21H25BO MolecularWeight: 304.2336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2CCCC1CCC2)OC(CC#C)(CC#C)C3=CC=CC=C3

Isomeric SMILES

B1(C2CCCC1CCC2)OC(CC#C)(CC#C)C3=CC=CC=C3

InChI

InChI=1S/C21H25BO/c1-3-16-21(17-4-2,18-10-6-5-7-11-18)23-22-19-12-8-13-20(22)15-9-14-19/h1-2,5-7,10-11,19-20H,8-9,12-17H2