(3R,4S)-4-(benzotriazol-1-yl)-2-methyl-hex-5-en-3-ol

Systemtic Name: (3R,4S)-4-(benzotriazol-1-yl)-2-methyl-hex-5-en-3-ol Openeye Name: (3R,4S)-4-(benzotriazol-1-yl)-2-methyl-hex-5-en-3-ol CAS Name: (3R,4S)-4-(1-benzotriazolyl)-2-methyl-5-hexen-3-ol IUPAC Name: (3R,4S)-4-(benzotriazol-1-yl)-2-methylhex-5-en-3-ol Traditional Name: (3R,4S)-4-(benzotriazol-1-yl)-2-methyl-hex-5-en-3-ol Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=C)N1C2=CC=CC=C2N=N1)O

Isomeric SMILES

CC(C)[C@H]([C@H](C=C)N1C2=CC=CC=C2N=N1)O

InChI

InChI=1S/C13H17N3O/c1-4-11(13(17)9(2)3)16-12-8-6-5-7-10(12)14-15-16/h4-9,11,13,17H,1H2,2-3H3/t11-,13+/m0/s1