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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C1CCCC=C1)C2CCC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(COC(=O)C(C1CCCC=C1)C2CCC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H31NO2.C6H8O7/c1-16(21-13-7-8-14-21)15-23-20(22)19(18-11-5-6-12-18)17-9-3-2-4-10-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5,9,11,16-19H,2,4,6-8,10,12-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)