4-chloranyl-3-cyano-3-oxidanyl-butanoic acid

Systemtic Name: 4-chloranyl-3-cyano-3-oxidanyl-butanoic acid Openeye Name: 4-chloro-3-cyano-3-hydroxy-butanoic acid CAS Name: 4-chloro-3-cyano-3-hydroxybutanoic acid IUPAC Name: 4-chloro-3-cyano-3-hydroxybutanoic acid Traditional Name: 4-chloro-3-cyano-3-hydroxy-butyric acid Formula: C5H6ClNO3 MolecularWeight: 163.55904

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CCl)(C#N)O

Isomeric SMILES

C(C(=O)O)C(CCl)(C#N)O

InChI

InChI=1S/C5H6ClNO3/c6-2-5(10,3-7)1-4(8)9/h10H,1-2H2,(H,8,9)