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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=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

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