3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol Traditional Name: citric acid; 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C20H29NO8 MolecularWeight: 411.44616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC1(CCN(C1)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H21NO.C6H8O7/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10,16H,3,7-9,11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)