2-(cyanomethyl)-2-(5-oxidanylideneoxolan-3-yl)propanedioic acid

Systemtic Name: 2-(cyanomethyl)-2-(5-oxidanylideneoxolan-3-yl)propanedioic acid Openeye Name: 2-(cyanomethyl)-2-(5-oxotetrahydrofuran-3-yl)propanedioic acid CAS Name: 2-(cyanomethyl)-2-(5-oxo-3-oxolanyl)propanedioic acid IUPAC Name: 2-(cyanomethyl)-2-(5-oxooxolan-3-yl)propanedioic acid Traditional Name: 2-(cyanomethyl)-2-(5-ketotetrahydrofuran-3-yl)malonic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1=O)C(CC#N)(C(=O)O)C(=O)O

Isomeric SMILES

C1C(COC1=O)C(CC#N)(C(=O)O)C(=O)O

InChI

InChI=1S/C9H9NO6/c10-2-1-9(7(12)13,8(14)15)5-3-6(11)16-4-5/h5H,1,3-4H2,(H,12,13)(H,14,15)