3-[1-hexyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[1-hexyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(1-hexyl-3-isobutyl-pyrrolidin-3-yl)phenol CAS Name: 3-[1-hexyl-3-(2-methylpropyl)-3-pyrrolidinyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[1-hexyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-(1-hexyl-3-isobutyl-pyrrolidin-3-yl)phenol Formula: C26H41NO8 MolecularWeight: 495.60564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO.C6H8O7/c1-4-5-6-7-12-21-13-11-20(16-21,15-17(2)3)18-9-8-10-19(22)14-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10,14,17,22H,4-7,11-13,15-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)