2,3-diacetyloxypropyl ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2,3-diacetyloxypropyl ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2,3-diacetoxypropyl acetate citrate CAS Name: acetic acid 2,3-diacetyloxypropyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2,3-diacetyloxypropyl acetate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: acetic acid 2,3-diacetoxypropyl ester citrate Formula: C15H19O13-3 MolecularWeight: 407.30356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O6.C6H8O7/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11;7-3(8)1-6(13,5(11)12)2-4(9)10/h9H,4-5H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3