N-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid Openeye Name: N-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]butan-2-amine; oxalic acid CAS Name: N-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]-2-butanamine; oxalic acid IUPAC Name: N-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]butan-2-amine; oxalic acid Traditional Name: 2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl-sec-butyl-amine; oxalic acid Formula: C15H21BrClNO5 MolecularWeight: 410.68794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19BrClNO.C2H2O4/c1-4-10(3)16-5-6-17-13-11(14)7-9(2)8-12(13)15;3-1(4)2(5)6/h7-8,10,16H,4-6H2,1-3H3;(H,3,4)(H,5,6)