methyl (1R,2R,6S,7R)-4-acetyloxy-7-bromanyl-2-methoxy-5-oxidanylidene-bicyclo[4.1.0]hept-3-ene-7-carboxylate

Systemtic Name: methyl (1R,2R,6S,7R)-4-acetyloxy-7-bromanyl-2-methoxy-5-oxidanylidene-bicyclo[4.1.0]hept-3-ene-7-carboxylate Openeye Name: methyl (1R,2R,6S,7R)-4-acetoxy-7-bromo-2-methoxy-5-oxo-bicyclo[4.1.0]hept-3-ene-7-carboxylate CAS Name: (1R,2R,6S,7R)-4-acetyloxy-7-bromo-2-methoxy-5-oxo-7-bicyclo[4.1.0]hept-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,6S,7R)-4-acetyloxy-7-bromo-2-methoxy-5-oxobicyclo[4.1.0]hept-3-ene-7-carboxylate Traditional Name: (1R,2R,6S,7R)-4-acetoxy-7-bromo-5-keto-2-methoxy-bicyclo[4.1.0]hept-3-ene-7-carboxylic acid methyl ester Formula: C12H13BrO6 MolecularWeight: 333.13202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(C2C(C1=O)C2(C(=O)OC)Br)OC

Isomeric SMILES

CC(=O)OC1=C[C@H]([C@H]2[C@@H](C1=O)[C@]2(C(=O)OC)Br)OC

InChI

InChI=1S/C12H13BrO6/c1-5(14)19-7-4-6(17-2)8-9(10(7)15)12(8,13)11(16)18-3/h4,6,8-9H,1-3H3/t6-,8+,9+,12-/m1/s1