4-(2-bromanyl-4-chloranyl-phenoxy)-N-butyl-butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-bromanyl-4-chloranyl-phenoxy)-N-butyl-butan-1-amine; ethanedioic acid Openeye Name: 4-(2-bromo-4-chloro-phenoxy)-N-butyl-butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-4-chlorophenoxy)-N-butyl-1-butanamine; oxalic acid IUPAC Name: 4-(2-bromo-4-chlorophenoxy)-N-butylbutan-1-amine; oxalic acid Traditional Name: 4-(2-bromo-4-chloro-phenoxy)butyl-butyl-amine; oxalic acid Formula: C16H23BrClNO5 MolecularWeight: 424.71452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21BrClNO.C2H2O4/c1-2-3-8-17-9-4-5-10-18-14-7-6-12(16)11-13(14)15;3-1(4)2(5)6/h6-7,11,17H,2-5,8-10H2,1H3;(H,3,4)(H,5,6)