[(3R,6S)-6-(benzotriazol-1-yl)oxan-3-yl] ethanoate

Systemtic Name: [(3R,6S)-6-(benzotriazol-1-yl)oxan-3-yl] ethanoate Openeye Name: [(3R,6S)-6-(benzotriazol-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,6S)-6-(1-benzotriazolyl)-3-oxanyl] ester IUPAC Name: [(3R,6S)-6-(benzotriazol-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3R,6S)-6-(benzotriazol-1-yl)tetrahydropyran-3-yl] ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(OC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@H](OC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H15N3O3/c1-9(17)19-10-6-7-13(18-8-10)16-12-5-3-2-4-11(12)14-15-16/h2-5,10,13H,6-8H2,1H3/t10-,13+/m1/s1