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

Systemtic Name: 3-(1-hexyl-3-propyl-pyrrolidin-3-yl)phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(1-hexyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: 3-(1-hexyl-3-propyl-3-pyrrolidinyl)phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-(1-hexyl-3-propylpyrrolidin-3-yl)phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-(1-hexyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C25H39NO8 MolecularWeight: 481.57906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C1)(CCC)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCN1CCC(C1)(CCC)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H31NO.C6H8O7/c1-3-5-6-7-13-20-14-12-19(16-20,11-4-2)17-9-8-10-18(21)15-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10,15,21H,3-7,11-14,16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)