(1S,2S)-2-(furan-2-yl)-4-oxidanylidene-cycloheptane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-(furan-2-yl)-4-oxidanylidene-cycloheptane-1-carboxylic acid Openeye Name: (1S,2S)-2-(2-furyl)-4-oxo-cycloheptanecarboxylic acid CAS Name: (1S,2S)-2-(2-furanyl)-4-oxo-1-cycloheptanecarboxylic acid IUPAC Name: (1S,2S)-2-(furan-2-yl)-4-oxocycloheptane-1-carboxylic acid Traditional Name: (1S,2S)-2-(2-furyl)-4-keto-cycloheptanecarboxylic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC(=O)C1)C2=CC=CO2)C(=O)O

Isomeric SMILES

C1C[C@@H]([C@H](CC(=O)C1)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C12H14O4/c13-8-3-1-4-9(12(14)15)10(7-8)11-5-2-6-16-11/h2,5-6,9-10H,1,3-4,7H2,(H,14,15)/t9-,10-/m0/s1