2-oxidanylpropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-[2,5-bis(chloranyl)phenyl]-3-methyl-pentanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-[2,5-bis(chloranyl)phenyl]-3-methyl-pentanoate Openeye Name: citric acid; (1-isopropylpyrrolidin-3-yl) 2-(2,5-dichlorophenyl)-3-methyl-pentanoate CAS Name: 2-(2,5-dichlorophenyl)-3-methylpentanoic acid (1-propan-2-yl-3-pyrrolidinyl) ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(2,5-dichlorophenyl)-3-methylpentanoate Traditional Name: citric acid; 2-(2,5-dichlorophenyl)-3-methyl-valeric acid (1-isopropylpyrrolidin-3-yl) ester Formula: C25H35Cl2NO9 MolecularWeight: 564.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=C(C=CC(=C1)Cl)Cl)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(C)C(C1=C(C=CC(=C1)Cl)Cl)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H27Cl2NO2.C6H8O7/c1-5-13(4)18(16-10-14(20)6-7-17(16)21)19(23)24-15-8-9-22(11-15)12(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-7,10,12-13,15,18H,5,8-9,11H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)