4-[(1R,2S)-1,2,4-tris(oxidanyl)-3-oxidanylidene-butyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2S)-1,2,4-tris(oxidanyl)-3-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-1,2,4-trihydroxy-3-oxo-butyl]benzonitrile CAS Name: 4-[(1R,2S)-1,2,4-trihydroxy-3-oxobutyl]benzonitrile IUPAC Name: 4-[(1R,2S)-1,2,4-trihydroxy-3-oxobutyl]benzonitrile Traditional Name: 4-[(1R,2S)-1,2,4-trihydroxy-3-keto-butyl]benzonitrile Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C(C(=O)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@H]([C@@H](C(=O)CO)O)O

InChI

InChI=1S/C11H11NO4/c12-5-7-1-3-8(4-2-7)10(15)11(16)9(14)6-13/h1-4,10-11,13,15-16H,6H2/t10-,11-/m1/s1