3-acetyloxy-2,3-diethanoyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid

Systemtic Name: 3-acetyloxy-2,3-diethanoyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid Openeye Name: 3-acetoxy-2,3-diacetyl-4,5-dihydroxy-cyclohexene-1-carboxylic acid CAS Name: 2,3-diacetyl-3-acetyloxy-4,5-dihydroxy-1-cyclohexenecarboxylic acid IUPAC Name: 2,3-diacetyl-3-acetyloxy-4,5-dihydroxycyclohexene-1-carboxylic acid Traditional Name: 3-acetoxy-2,3-diacetyl-4,5-dihydroxy-cyclohexene-1-carboxylic acid Formula: C13H16O8 MolecularWeight: 300.26134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O8/c1-5(14)10-8(12(19)20)4-9(17)11(18)13(10,6(2)15)21-7(3)16/h9,11,17-18H,4H2,1-3H3,(H,19,20)