2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylpropyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-ethanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylpropyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-ethanoate Openeye Name: citric acid; 3-pyrrolidin-1-ylpropyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-acetate CAS Name: 2-(1-cyclohex-2-enyl)-2-(1-cyclopent-2-enyl)acetic acid 3-(1-pyrrolidinyl)propyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylpropyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate Traditional Name: citric acid; 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-acetic acid 3-pyrrolidinopropyl ester Formula: C26H39NO9 MolecularWeight: 509.58916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC(=O)C(C2CCCC=C2)C3CCC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCOC(=O)C(C2CCCC=C2)C3CCC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H31NO2.C6H8O7/c22-20(23-16-8-15-21-13-6-7-14-21)19(18-11-4-5-12-18)17-9-2-1-3-10-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,9,11,17-19H,1,3,5-8,10,12-16H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)