dimethyl (3R,4S)-3-ethynyl-4-(phenylcarbonyloxymethyl)cyclopentane-1,1-dicarboxylate

Systemtic Name: dimethyl (3R,4S)-3-ethynyl-4-(phenylcarbonyloxymethyl)cyclopentane-1,1-dicarboxylate Openeye Name: dimethyl (3S,4R)-3-(benzoyloxymethyl)-4-ethynyl-cyclopentane-1,1-dicarboxylate CAS Name: (3S,4R)-3-(benzoyloxymethyl)-4-ethynylcyclopentane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,4R)-3-(benzoyloxymethyl)-4-ethynylcyclopentane-1,1-dicarboxylate Traditional Name: (3S,4R)-3-(benzoyloxymethyl)-4-ethynyl-cyclopentane-1,1-dicarboxylic acid dimethyl ester Formula: C19H20O6 MolecularWeight: 344.3585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](C1)C#C)COC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H20O6/c1-4-13-10-19(17(21)23-2,18(22)24-3)11-15(13)12-25-16(20)14-8-6-5-7-9-14/h1,5-9,13,15H,10-12H2,2-3H3/t13-,15-/m1/s1