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

Systemtic Name: O2-(2-diethylaminoethyl) O1-hexyl 3-azanylbenzene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; O2-(2-diethylaminoethyl) O1-hexyl 3-aminobenzene-1,2-dicarboxylate CAS Name: 3-aminobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-hexyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-O-(2-diethylaminoethyl) 1-O-hexyl 3-aminobenzene-1,2-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-aminobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-hexyl ester; citric acid Formula: C26H40N2O11 MolecularWeight: 556.6026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=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

CCCCCCOC(=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/C20H32N2O4.C6H8O7/c1-4-7-8-9-14-25-19(23)16-11-10-12-17(21)18(16)20(24)26-15-13-22(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h10-12H,4-9,13-15,21H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)