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

Systemtic Name: 4-oxidanylidenehexan-2-yl 3,4,5-tris(oxidanyl)benzoate Openeye Name: (1-methyl-3-oxo-pentyl) 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid 4-oxohexan-2-yl ester IUPAC Name: 4-oxohexan-2-yl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (3-keto-1-methyl-pentyl) ester Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6/c1-3-9(14)4-7(2)19-13(18)8-5-10(15)12(17)11(16)6-8/h5-7,15-17H,3-4H2,1-2H3