2,3-diacetyloxypropyl ethanoate; 2-ethoxy-3-ethyl-pentane-1,2,3-tricarboxylate

Systemtic Name: 2,3-diacetyloxypropyl ethanoate; 2-ethoxy-3-ethyl-pentane-1,2,3-tricarboxylate Openeye Name: 2,3-diacetoxypropyl acetate; 2-ethoxy-3-ethyl-pentane-1,2,3-tricarboxylate CAS Name: acetic acid 2,3-diacetyloxypropyl ester; 2-ethoxy-3-ethylpentane-1,2,3-tricarboxylate IUPAC Name: 2,3-diacetyloxypropyl acetate; 2-ethoxy-3-ethylpentane-1,2,3-tricarboxylate Traditional Name: acetic acid 2,3-diacetoxypropyl ester; 2-ethoxy-3-ethyl-pentane-1,2,3-tricarboxylate Formula: C21H31O13-3 MolecularWeight: 491.46304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])OCC.CC(=O)OCC(COC(=O)C)OC(=O)C

Isomeric SMILES

CCC(CC)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])OCC.CC(=O)OCC(COC(=O)C)OC(=O)C

InChI

InChI=1S/C12H20O7.C9H14O6/c1-4-11(5-2,9(15)16)12(10(17)18,19-6-3)7-8(13)14;1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h4-7H2,1-3H3,(H,13,14)(H,15,16)(H,17,18);9H,4-5H2,1-3H3/p-3