O2-(2-diethylaminoethyl) O1-pentyl 3-azanylbenzene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: O2-(2-diethylaminoethyl) O1-pentyl 3-azanylbenzene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; O2-(2-diethylaminoethyl) O1-pentyl 3-aminobenzene-1,2-dicarboxylate CAS Name: 3-aminobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-pentyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-O-(2-diethylaminoethyl) 1-O-pentyl 3-aminobenzene-1,2-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-aminobenzene-1,2-dicarboxylic acid O1-amyl ester O2-(2-diethylaminoethyl) ester; citric acid Formula: C25H38N2O11 MolecularWeight: 542.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=CC=C1)N)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=CC=C1)N)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O4.C6H8O7/c1-4-7-8-13-24-18(22)15-10-9-11-16(20)17(15)19(23)25-14-12-21(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-11H,4-8,12-14,20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)