4,5,6-tris(oxidanyl)-5-(phenylcarbonyl)nonane-3,7-dione

Systemtic Name: 4,5,6-tris(oxidanyl)-5-(phenylcarbonyl)nonane-3,7-dione Openeye Name: 5-benzoyl-4,5,6-trihydroxy-nonane-3,7-dione CAS Name: 5-benzoyl-4,5,6-trihydroxynonane-3,7-dione IUPAC Name: 5-benzoyl-4,5,6-trihydroxynonane-3,7-dione Traditional Name: 5-benzoyl-4,5,6-trihydroxy-nonane-3,7-dione Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6/c1-3-11(17)14(20)16(22,15(21)12(18)4-2)13(19)10-8-6-5-7-9-10/h5-9,14-15,20-22H,3-4H2,1-2H3