2-diethylaminoethyl 5,5-dimethylhexanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 5,5-dimethylhexanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 5,5-dimethylhexanoate CAS Name: 5,5-dimethylhexanoic acid 2-diethylaminoethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-diethylaminoethyl 5,5-dimethylhexanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 5,5-dimethylhexanoic acid 2-diethylaminoethyl ester Formula: C20H37NO9 MolecularWeight: 435.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CCCC(C)(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)CCCC(C)(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H29NO2.C6H8O7/c1-6-15(7-2)11-12-17-13(16)9-8-10-14(3,4)5;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-12H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)