6-cyano-5-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: 6-cyano-5-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: 6-cyano-5-hydroxy-3-oxo-hexanoate CAS Name: 6-cyano-5-hydroxy-3-oxohexanoate IUPAC Name: 6-cyano-5-hydroxy-3-oxohexanoate Traditional Name: 6-cyano-5-hydroxy-3-keto-hexanoate Formula: C7H8NO4- MolecularWeight: 170.14272

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)C(CC(=O)CC(=O)[O-])O

Isomeric SMILES

C(C#N)C(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C7H9NO4/c8-2-1-5(9)3-6(10)4-7(11)12/h5,9H,1,3-4H2,(H,11,12)/p-1