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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-ylhexanoate Openeye Name: citric acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-ylhexanoate CAS Name: 2-(1-cyclopent-2-enyl)hexanoic acid 2-(1-pyrrolidinyl)ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-ylhexanoate Traditional Name: citric acid; 2-cyclopent-2-en-1-ylhexanoic acid 2-pyrrolidinoethyl ester Formula: C23H37NO9 MolecularWeight: 471.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCC=C1)C(=O)OCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC(C1CCC=C1)C(=O)OCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H29NO2.C6H8O7/c1-2-3-10-16(15-8-4-5-9-15)17(19)20-14-13-18-11-6-7-12-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,8,15-16H,2-3,5-7,9-14H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)