3-oxidanylidenebutan-2-yl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3,4,5-tris(oxidanyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (2-keto-1-methyl-propyl) ester Formula: C11H12O6 MolecularWeight: 240.20938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O6/c1-5(12)6(2)17-11(16)7-3-8(13)10(15)9(14)4-7/h3-4,6,13-15H,1-2H3