2-(4-chloranyl-3,5-dimethyl-phenoxy)-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N,N-dimethyl-ethanamine; citric acid CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)ethyl-dimethyl-amine; citric acid Formula: C18H26ClNO8 MolecularWeight: 419.85394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H18ClNO.C6H8O7/c1-9-7-11(8-10(2)12(9)13)15-6-5-14(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8H,5-6H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)