N-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]butan-1-amine; ethanedioic acid Openeye Name: N-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]butan-1-amine; oxalic acid CAS Name: N-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-1-butanamine; oxalic acid IUPAC Name: N-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]butan-1-amine; oxalic acid Traditional Name: 3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl-butyl-amine; oxalic acid Formula: C16H23BrClNO5 MolecularWeight: 424.71452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=C(C=C(C=C1Br)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21BrClNO.C2H2O4/c1-3-4-6-17-7-5-8-18-14-12(15)9-11(2)10-13(14)16;3-1(4)2(5)6/h9-10,17H,3-8H2,1-2H3;(H,3,4)(H,5,6)