dimethyl 2-[(1S,4R)-4-oxidanylcyclohept-2-en-1-yl]propanedioate

Systemtic Name: dimethyl 2-[(1S,4R)-4-oxidanylcyclohept-2-en-1-yl]propanedioate Openeye Name: dimethyl 2-[(1S,4R)-4-hydroxycyclohept-2-en-1-yl]propanedioate CAS Name: 2-[(1S,4R)-4-hydroxy-1-cyclohept-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S,4R)-4-hydroxycyclohept-2-en-1-yl]propanedioate Traditional Name: 2-[(1S,4R)-4-hydroxycyclohept-2-en-1-yl]malonic acid dimethyl ester Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCC(C=C1)O)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]1CCC[C@H](C=C1)O)C(=O)OC

InChI

InChI=1S/C12H18O5/c1-16-11(14)10(12(15)17-2)8-4-3-5-9(13)7-6-8/h6-10,13H,3-5H2,1-2H3/t8-,9+/m0/s1