sodium; [3-acetyloxy-4,5-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl] ethanoate; ethanoyl ethanoate; ethanoate

Systemtic Name: sodium; [3-acetyloxy-4,5-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl] ethanoate; ethanoyl ethanoate; ethanoate Openeye Name: sodium; (2-acetoxy-1-formyl-3,4-dihydroxy-butyl) acetate; acetyl acetate; acetate CAS Name: sodium; acetic acid acetyl ester; acetic acid (3-acetyloxy-4,5-dihydroxy-1-oxopentan-2-yl) ester; acetate IUPAC Name: sodium; acetyl acetate; (3-acetyloxy-4,5-dihydroxy-1-oxopentan-2-yl) acetate; acetate Traditional Name: sodium; acetic acid (2-acetoxy-1-formyl-3,4-dihydroxy-butyl) ester; acetic acid acetyl ester; acetate Formula: C15H23NaO12 MolecularWeight: 418.32569

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)OC(C=O)C(C(CO)O)OC(=O)C.CC(=O)OC(=O)C.[Na+]

Isomeric SMILES

CC(=O)[O-].CC(=O)OC(C=O)C(C(CO)O)OC(=O)C.CC(=O)OC(=O)C.[Na+]

InChI

InChI=1S/C9H14O7.C4H6O3.C2H4O2.Na/c1-5(12)15-8(4-11)9(7(14)3-10)16-6(2)13;1-3(5)7-4(2)6;1-2(3)4;/h4,7-10,14H,3H2,1-2H3;1-2H3;1H3,(H,3,4);/q;;;+1/p-1