ethyl (3R,4R,5S)-5-acetyloxy-4-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-5-acetyloxy-4-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-5-acetoxy-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-5-acetoxy-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C16H26O6 MolecularWeight: 314.37404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1O)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1O)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C16H26O6/c1-5-12(6-2)22-14-9-11(16(19)20-7-3)8-13(15(14)18)21-10(4)17/h9,12-15,18H,5-8H2,1-4H3/t13-,14+,15+/m0/s1