2-oxidanylpropane-1,2,3-tricarboxylic acid; piperazine; pentahydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; piperazine; pentahydrate Openeye Name: citric acid; piperazine; pentahydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; piperazine; pentahydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; piperazine; pentahydrate Traditional Name: citric acid; piperazine; pentahydrate Formula: C24H56N6O19 MolecularWeight: 732.73024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1CNCCN1.C1CNCCN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O.O.O

Isomeric SMILES

C1CNCCN1.C1CNCCN1.C1CNCCN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O.O.O

InChI

InChI=1S/2C6H8O7.3C4H10N2.5H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2;5*1H2