2-[(3R)-oct-1-yn-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3R)-oct-1-yn-3-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-ethynylhexyl]isoindoline-1,3-dione CAS Name: 2-[(3R)-oct-1-yn-3-yl]isoindole-1,3-dione IUPAC Name: 2-[(3R)-oct-1-yn-3-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-amylprop-2-ynyl]isoindoline-1,3-quinone Formula: C16H17NO2 MolecularWeight: 255.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCC[C@H](C#C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H17NO2/c1-3-5-6-9-12(4-2)17-15(18)13-10-7-8-11-14(13)16(17)19/h2,7-8,10-12H,3,5-6,9H2,1H3/t12-/m0/s1