dimethyl (1R,2R,7S)-3-methylidene-7-oxidanyl-4-oxidanylidene-cycloheptane-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2R,7S)-3-methylidene-7-oxidanyl-4-oxidanylidene-cycloheptane-1,2-dicarboxylate Openeye Name: dimethyl (1R,2R,7S)-7-hydroxy-3-methylene-4-oxo-cycloheptane-1,2-dicarboxylate CAS Name: (1R,2R,7S)-7-hydroxy-3-methylene-4-oxocycloheptane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R,7S)-7-hydroxy-3-methylidene-4-oxocycloheptane-1,2-dicarboxylate Traditional Name: (1R,2R,7S)-7-hydroxy-4-keto-3-methylene-cycloheptane-1,2-dicarboxylic acid dimethyl ester Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCC(=O)C(=C)C1C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16O6/c1-6-7(13)4-5-8(14)10(12(16)18-3)9(6)11(15)17-2/h8-10,14H,1,4-5H2,2-3H3/t8-,9-,10-/m0/s1