(1R,2R,3S)-1-(benzotriazol-1-yl)-3-ethoxy-2-propyl-propane-1,3-diol

Systemtic Name: (1R,2R,3S)-1-(benzotriazol-1-yl)-3-ethoxy-2-propyl-propane-1,3-diol Openeye Name: (1R,2R,3S)-1-(benzotriazol-1-yl)-3-ethoxy-2-propyl-propane-1,3-diol CAS Name: (1R,2R,3S)-1-(1-benzotriazolyl)-3-ethoxy-2-propylpropane-1,3-diol IUPAC Name: (1R,2R,3S)-1-(benzotriazol-1-yl)-3-ethoxy-2-propylpropane-1,3-diol Traditional Name: (1R,2R,3S)-1-(benzotriazol-1-yl)-3-ethoxy-2-propyl-propane-1,3-diol Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-3-7-10(14(19)20-4-2)13(18)17-12-9-6-5-8-11(12)15-16-17/h5-6,8-10,13-14,18-19H,3-4,7H2,1-2H3/t10-,13-,14+/m1/s1