ethanenitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethanenitrile; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: acetonitrile; citric acid CAS Name: acetonitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: acetonitrile; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: acetonitrile; citric acid Formula: C8H11NO7 MolecularWeight: 233.17544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H8O7.C2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3