sodium; [3-acetyloxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-2-yl] ethanoate; ethanoyl ethanoate; ethanoate

Systemtic Name: sodium; [3-acetyloxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-2-yl] ethanoate; ethanoyl ethanoate; ethanoate Openeye Name: sodium; (2-acetoxy-1-formyl-3,4,5-trihydroxy-pentyl) acetate; acetyl acetate; acetate CAS Name: sodium; acetic acid acetyl ester; acetic acid (3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl) ester; acetate IUPAC Name: sodium; acetyl acetate; (3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl) acetate; acetate Traditional Name: sodium; acetic acid (2-acetoxy-1-formyl-3,4,5-trihydroxy-pentyl) ester; acetic acid acetyl ester; acetate Formula: C16H25NaO13 MolecularWeight: 448.35167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O8.C4H6O3.C2H4O2.Na/c1-5(13)17-8(4-12)10(18-6(2)14)9(16)7(15)3-11;1-3(5)7-4(2)6;1-2(3)4;/h4,7-11,15-16H,3H2,1-2H3;1-2H3;1H3,(H,3,4);/q;;;+1/p-1