4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; citric acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; citric acid Formula: C32H50N2O13 MolecularWeight: 670.745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/2C13H21NO3.C6H8O7/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*4-6,12,14-17H,7-8H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)