3,4-diacetyloxy-5-cyano-benzoic acid

Systemtic Name: 3,4-diacetyloxy-5-cyano-benzoic acid Openeye Name: 3,4-diacetoxy-5-cyano-benzoic acid CAS Name: 3,4-diacetyloxy-5-cyanobenzoic acid IUPAC Name: 3,4-diacetyloxy-5-cyanobenzoic acid Traditional Name: 3,4-diacetoxy-5-cyano-benzoic acid Formula: C12H9NO6 MolecularWeight: 263.20296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=CC(=C1)C(=O)O)C#N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=CC(=C1)C(=O)O)C#N)OC(=O)C

InChI

InChI=1S/C12H9NO6/c1-6(14)18-10-4-8(12(16)17)3-9(5-13)11(10)19-7(2)15/h3-4H,1-2H3,(H,16,17)