1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole

Systemtic Name: 1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole Openeye Name: 1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole CAS Name: 1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole IUPAC Name: 1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole Traditional Name: 1-[(4S)-4,6,6-trimethylhept-1-ynyl]benzotriazole Formula: C16H21N3 MolecularWeight: 255.35804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CN1C2=CC=CC=C2N=N1)CC(C)(C)C

Isomeric SMILES

C[C@H](CC#CN1C2=CC=CC=C2N=N1)CC(C)(C)C

InChI

InChI=1S/C16H21N3/c1-13(12-16(2,3)4)8-7-11-19-15-10-6-5-9-14(15)17-18-19/h5-6,9-10,13H,8,12H2,1-4H3/t13-/m1/s1