[3-cyano-1,2,2-tris(oxidanyl)propyl] benzoate

Systemtic Name: [3-cyano-1,2,2-tris(oxidanyl)propyl] benzoate Openeye Name: (3-cyano-1,2,2-trihydroxy-propyl) benzoate CAS Name: benzoic acid (3-cyano-1,2,2-trihydroxypropyl) ester IUPAC Name: (3-cyano-1,2,2-trihydroxypropyl) benzoate Traditional Name: benzoic acid (3-cyano-1,2,2-trihydroxy-propyl) ester Formula: C11H11NO5 MolecularWeight: 237.20874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(CC#N)(O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C(CC#N)(O)O)O

InChI

InChI=1S/C11H11NO5/c12-7-6-11(15,16)10(14)17-9(13)8-4-2-1-3-5-8/h1-5,10,14-16H,6H2