(1S,2R)-2-[2-(furan-3-yl)-2-oxidanylidene-ethyl]-3,3-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[2-(furan-3-yl)-2-oxidanylidene-ethyl]-3,3-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[2-(3-furyl)-2-oxo-ethyl]-3,3-dimethyl-cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[2-(3-furanyl)-2-oxoethyl]-3,3-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[2-(furan-3-yl)-2-oxoethyl]-3,3-dimethylcyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[2-(3-furyl)-2-keto-ethyl]-3,3-dimethyl-cyclohexanecarboxylic acid Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CC(=O)C2=COC=C2)C(=O)O)C

Isomeric SMILES

CC1(CCC[C@@H]([C@H]1CC(=O)C2=COC=C2)C(=O)O)C

InChI

InChI=1S/C15H20O4/c1-15(2)6-3-4-11(14(17)18)12(15)8-13(16)10-5-7-19-9-10/h5,7,9,11-12H,3-4,6,8H2,1-2H3,(H,17,18)/t11-,12+/m0/s1