[(2R,3R,4R)-3,4,5-triacetyloxy-3-ethynyl-oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [(2R,3R,4R)-3,4,5-triacetyloxy-3-ethynyl-oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [(2R,3R,4R)-3,4,5-triacetoxy-3-ethynyl-tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3R,4R)-3,4,5-triacetyloxy-3-ethynyl-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R)-3,4,5-triacetyloxy-3-ethynyloxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2R,3R,4R)-3,4,5-triacetoxy-3-ethynyl-tetrahydrofuran-2-yl]methyl ester Formula: C20H19ClO9 MolecularWeight: 438.81246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1(C#C)OC(=O)C)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClO9/c1-5-20(30-13(4)24)16(10-26-18(25)14-6-8-15(21)9-7-14)29-19(28-12(3)23)17(20)27-11(2)22/h1,6-9,16-17,19H,10H2,2-4H3/t16-,17+,19?,20-/m1/s1