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

Systemtic Name: ethyl (3R,4R,5S)-5-methylsulfonyloxy-4-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-3-(1-ethylpropoxy)-4-hydroxy-5-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-hydroxy-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-hydroxy-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-3-(1-ethylpropoxy)-4-hydroxy-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C15H26O7S MolecularWeight: 350.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26O7S/c1-5-11(6-2)21-12-8-10(15(17)20-7-3)9-13(14(12)16)22-23(4,18)19/h8,11-14,16H,5-7,9H2,1-4H3/t12-,13+,14-/m1/s1