O1-butyl O2-(2-diethylaminoethyl) 4-azanylbenzene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: O1-butyl O2-(2-diethylaminoethyl) 4-azanylbenzene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: O1-butyl O2-(2-diethylaminoethyl) 4-aminobenzene-1,2-dicarboxylate; citric acid CAS Name: 4-aminobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-diethylaminoethyl) ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-O-butyl 2-O-(2-diethylaminoethyl) 4-aminobenzene-1,2-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-aminobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(2-diethylaminoethyl) ester; citric acid Formula: C24H36N2O11 MolecularWeight: 528.54944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.C6H8O7/c1-4-7-11-23-17(21)15-9-8-14(19)13-16(15)18(22)24-12-10-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,13H,4-7,10-12,19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)