O2-(2-diethylaminoethyl) O1-propan-2-yl 4-azanylcyclohexa-3,5-diene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: O2-(2-diethylaminoethyl) O1-propan-2-yl 4-azanylcyclohexa-3,5-diene-1,2-dicarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; O2-(2-diethylaminoethyl) O1-isopropyl 4-aminocyclohexa-3,5-diene-1,2-dicarboxylate CAS Name: 4-aminocyclohexa-3,5-diene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-propan-2-yl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-O-(2-diethylaminoethyl) 1-O-propan-2-yl 4-aminocyclohexa-3,5-diene-1,2-dicarboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-aminocyclohexa-3,5-diene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-isopropyl ester; citric acid Formula: C23H36N2O11 MolecularWeight: 516.53874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1C=C(C=CC1C(=O)OC(C)C)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1C=C(C=CC1C(=O)OC(C)C)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O4.C6H8O7/c1-5-19(6-2)9-10-22-16(20)15-11-13(18)7-8-14(15)17(21)23-12(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,11-12,14-15H,5-6,9-10,18H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)