1-chloranyl-3-ethanoyl-3,4,5-tris(oxidanyl)heptane-2,6-dione

Systemtic Name: 1-chloranyl-3-ethanoyl-3,4,5-tris(oxidanyl)heptane-2,6-dione Openeye Name: 3-acetyl-1-chloro-3,4,5-trihydroxy-heptane-2,6-dione CAS Name: 3-acetyl-1-chloro-3,4,5-trihydroxyheptane-2,6-dione IUPAC Name: 3-acetyl-1-chloro-3,4,5-trihydroxyheptane-2,6-dione Traditional Name: 3-acetyl-1-chloro-3,4,5-trihydroxy-heptane-2,6-dione Formula: C9H13ClO6 MolecularWeight: 252.64892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C(C(=O)C)(C(=O)CCl)O)O)O

Isomeric SMILES

CC(=O)C(C(C(C(=O)C)(C(=O)CCl)O)O)O

InChI

InChI=1S/C9H13ClO6/c1-4(11)7(14)8(15)9(16,5(2)12)6(13)3-10/h7-8,14-16H,3H2,1-2H3