1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde CAS Name: 1-(2-diethylaminoethyl)-2-pyrrolecarboxaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-(2-diethylaminoethyl)pyrrole-2-carbaldehyde Formula: C17H26N2O8 MolecularWeight: 386.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=CC=C1C=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN1C=CC=C1C=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C11H18N2O.C6H8O7/c1-3-12(4-2)8-9-13-7-5-6-11(13)10-14;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)