2-diethylaminoethyl pyridine-3-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate

Systemtic Name: 2-diethylaminoethyl pyridine-3-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate Openeye Name: citric acid; 2-diethylaminoethyl pyridine-3-carboxylate; hydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-pyridinecarboxylic acid 2-diethylaminoethyl ester; hydrate IUPAC Name: 2-diethylaminoethyl pyridine-3-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate Traditional Name: citric acid; nicotinic acid 2-diethylaminoethyl ester; hydrate Formula: C18H28N2O10 MolecularWeight: 432.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CN=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CN=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

InChI

InChI=1S/C12H18N2O2.C6H8O7.H2O/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2