2-oxidanylpropane-1,2,3-tricarboxylic acid; 1H-pyridazin-2-yl 2-methylpropanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1H-pyridazin-2-yl 2-methylpropanoate Openeye Name: citric acid; 1H-pyridazin-2-yl 2-methylpropanoate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-methylpropanoic acid 1H-pyridazin-2-yl ester IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1H-pyridazin-2-yl 2-methylpropanoate Traditional Name: citric acid; 2-methylpropionic acid 1H-pyridazin-2-yl ester Formula: C14H20N2O9 MolecularWeight: 360.3166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)ON1C=CC=CN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)C(=O)ON1C=CC=CN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C8H12N2O2.C6H8O7/c1-7(2)8(11)12-10-6-4-3-5-9-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,9H,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)