2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylpropyl 2-cyclopent-2-en-1-ylhexanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylpropyl 2-cyclopent-2-en-1-ylhexanoate Openeye Name: citric acid; 3-pyrrolidin-1-ylpropyl 2-cyclopent-2-en-1-ylhexanoate CAS Name: 2-(1-cyclopent-2-enyl)hexanoic 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-cyclopent-2-en-1-ylhexanoate Traditional Name: citric acid; 2-cyclopent-2-en-1-ylhexanoic acid 3-pyrrolidinopropyl ester Formula: C24H39NO9 MolecularWeight: 485.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCC=C1)C(=O)OCCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC(C1CCC=C1)C(=O)OCCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H31NO2.C6H8O7/c1-2-3-11-17(16-9-4-5-10-16)18(20)21-15-8-14-19-12-6-7-13-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,9,16-17H,2-3,5-8,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)