2-(2-tert-butyl-6-methyl-phenoxy)-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(2-tert-butyl-6-methyl-phenoxy)-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-(2-tert-butyl-6-methyl-phenoxy)-N,N-dimethyl-ethanamine; citric acid CAS Name: 2-(2-tert-butyl-6-methylphenoxy)-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(2-tert-butyl-6-methylphenoxy)-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(2-tert-butyl-6-methyl-phenoxy)ethyl-dimethyl-amine; citric acid Formula: C21H33NO8 MolecularWeight: 427.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H25NO.C6H8O7/c1-12-8-7-9-13(15(2,3)4)14(12)17-11-10-16(5)6;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9H,10-11H2,1-6H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)