5-ethanoyl-4-(hydroxymethyl)-4,5-bis(oxidanyl)heptane-2,3,6-trione

Systemtic Name: 5-ethanoyl-4-(hydroxymethyl)-4,5-bis(oxidanyl)heptane-2,3,6-trione Openeye Name: 5-acetyl-4,5-dihydroxy-4-(hydroxymethyl)heptane-2,3,6-trione CAS Name: 5-acetyl-4,5-dihydroxy-4-(hydroxymethyl)heptane-2,3,6-trione IUPAC Name: 5-acetyl-4,5-dihydroxy-4-(hydroxymethyl)heptane-2,3,6-trione Traditional Name: 5-acetyl-4,5-dihydroxy-4-methylol-heptane-2,3,6-trione Formula: C10H14O7 MolecularWeight: 246.21396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)C(CO)(C(C(=O)C)(C(=O)C)O)O

Isomeric SMILES

CC(=O)C(=O)C(CO)(C(C(=O)C)(C(=O)C)O)O

InChI

InChI=1S/C10H14O7/c1-5(12)8(15)9(16,4-11)10(17,6(2)13)7(3)14/h11,16-17H,4H2,1-3H3