2-diethylaminoethyl 4,4-dimethylpentanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 4,4-dimethylpentanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 4,4-dimethylpentanoate CAS Name: 4,4-dimethylpentanoic acid 2-diethylaminoethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-diethylaminoethyl 4,4-dimethylpentanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 4,4-dimethylvaleric acid 2-diethylaminoethyl ester Formula: C19H35NO9 MolecularWeight: 421.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27NO2.C6H8O7/c1-6-14(7-2)10-11-16-12(15)8-9-13(3,4)5;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)