1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole

Systemtic Name: 1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole Openeye Name: 1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole CAS Name: 1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole IUPAC Name: 1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole Traditional Name: 1-[(4R)-4,6,6-trimethylhept-2-ynyl]benzotriazole Formula: C16H21N3 MolecularWeight: 255.35804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)C#CCN1C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@H](CC(C)(C)C)C#CCN1C2=CC=CC=C2N=N1

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,11-12H2,1-4H3/t13-/m0/s1