2-oxidanylpropane-1,2,3-tricarboxylate; (2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-yl) ethanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; (2,2,6,6-tetramethyl-1-oxidanyl-piperidin-1-ium-4-yl) ethanoate Openeye Name: (1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-yl) acetate citrate CAS Name: acetic acid (1-hydroxy-2,2,6,6-tetramethyl-4-piperidin-1-iumyl) ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate Traditional Name: acetic acid (1-hydroxy-2,2,6,6-tetramethyl-piperidin-1-ium-4-yl) ester citrate Formula: C39H71N3O16 MolecularWeight: 837.99154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.CC(=O)OC1CC([NH+](C(C1)(C)C)O)(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/3C11H21NO3.C6H8O7/c3*1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*9,14H,6-7H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)