dimethyl (1S,4R,5R,7S)-5-(furan-2-yl)-7-oxidanyl-cycloheptane-1,4-dicarboxylate

Systemtic Name: dimethyl (1S,4R,5R,7S)-5-(furan-2-yl)-7-oxidanyl-cycloheptane-1,4-dicarboxylate Openeye Name: dimethyl (1S,4R,5R,7S)-5-(2-furyl)-7-hydroxy-cycloheptane-1,4-dicarboxylate CAS Name: (1S,4R,5R,7S)-5-(2-furanyl)-7-hydroxycycloheptane-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4R,5R,7S)-5-(furan-2-yl)-7-hydroxycycloheptane-1,4-dicarboxylate Traditional Name: (1S,4R,5R,7S)-5-(2-furyl)-7-hydroxy-cycloheptane-1,4-dicarboxylic acid dimethyl ester Formula: C15H20O6 MolecularWeight: 296.3157

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(CC1C2=CC=CO2)O)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1CC[C@@H]([C@H](C[C@H]1C2=CC=CO2)O)C(=O)OC

InChI

InChI=1S/C15H20O6/c1-19-14(17)9-5-6-10(15(18)20-2)12(16)8-11(9)13-4-3-7-21-13/h3-4,7,9-12,16H,5-6,8H2,1-2H3/t9-,10+,11-,12+/m1/s1