2-oxidanylpropane-1,2,3-tricarboxylic acid; 2,2,2-tris(chloranyl)-1-piperidin-1-yl-ethanimine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2,2,2-tris(chloranyl)-1-piperidin-1-yl-ethanimine Openeye Name: citric acid; 2,2,2-trichloro-1-(1-piperidyl)ethanimine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2,2,2-trichloro-1-(1-piperidinyl)ethanimine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2,2,2-trichloro-1-piperidin-1-ylethanimine Traditional Name: citric acid; (2,2,2-trichloro-1-piperidino-ethylidene)amine Formula: C13H19Cl3N2O7 MolecularWeight: 421.65816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=N)C(Cl)(Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=N)C(Cl)(Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C7H11Cl3N2.C6H8O7/c8-7(9,10)6(11)12-4-2-1-3-5-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h11H,1-5H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)