[(2R,3R)-3-ethynyl-3-methyl-oxiran-2-yl]methyl benzoate

Systemtic Name: [(2R,3R)-3-ethynyl-3-methyl-oxiran-2-yl]methyl benzoate Openeye Name: [(2R,3R)-3-ethynyl-3-methyl-oxiran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R)-3-ethynyl-3-methyl-2-oxiranyl]methyl ester IUPAC Name: [(2R,3R)-3-ethynyl-3-methyloxiran-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R)-3-ethynyl-3-methyl-oxiran-2-yl]methyl ester Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)COC(=O)C2=CC=CC=C2)C#C

Isomeric SMILES

C[C@]1([C@H](O1)COC(=O)C2=CC=CC=C2)C#C

InChI

InChI=1S/C13H12O3/c1-3-13(2)11(16-13)9-15-12(14)10-7-5-4-6-8-10/h1,4-8,11H,9H2,2H3/t11-,13-/m1/s1