(4S)-4-(benzotriazol-1-yl)-5-oxidanylidene-hexanoate

Systemtic Name: (4S)-4-(benzotriazol-1-yl)-5-oxidanylidene-hexanoate Openeye Name: (4S)-4-(benzotriazol-1-yl)-5-oxo-hexanoate CAS Name: (4S)-4-(1-benzotriazolyl)-5-oxohexanoate IUPAC Name: (4S)-4-(benzotriazol-1-yl)-5-oxohexanoate Traditional Name: (4S)-4-(benzotriazol-1-yl)-5-keto-hexanoate Formula: C12H12N3O3- MolecularWeight: 246.24198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC(=O)[O-])N1C2=CC=CC=C2N=N1

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-8(16)10(6-7-12(17)18)15-11-5-3-2-4-9(11)13-14-15/h2-5,10H,6-7H2,1H3,(H,17,18)/p-1/t10-/m0/s1