N-[2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; ethanedioic acid Openeye Name: N-[2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid Traditional Name: 2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethoxy]ethyl-butyl-amine; oxalic acid Formula: C17H25BrClNO6 MolecularWeight: 454.7405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23BrClNO2.C2H2O4/c1-3-4-5-18-6-7-19-8-9-20-15-13(16)10-12(2)11-14(15)17;3-1(4)2(5)6/h10-11,18H,3-9H2,1-2H3;(H,3,4)(H,5,6)