dimethyl (1S,4R,5R,7S)-5-methyl-7-oxidanyl-cycloheptane-1,4-dicarboxylate

Systemtic Name: dimethyl (1S,4R,5R,7S)-5-methyl-7-oxidanyl-cycloheptane-1,4-dicarboxylate Openeye Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-methyl-cycloheptane-1,4-dicarboxylate CAS Name: (1R,4S,5S,7R)-5-hydroxy-7-methylcycloheptane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,4S,5S,7R)-5-hydroxy-7-methylcycloheptane-1,4-dicarboxylate Traditional Name: (1R,4S,5S,7R)-5-hydroxy-7-methyl-cycloheptane-1,4-dicarboxylic acid dimethyl ester Formula: C12H20O5 MolecularWeight: 244.2842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CCC1C(=O)OC)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O5/c1-7-6-10(13)9(12(15)17-3)5-4-8(7)11(14)16-2/h7-10,13H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1