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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenoxy)-N,N-dimethyl-butan-1-amine; ethanedioic acid Openeye Name: 4-(4-bromo-2-chloro-phenoxy)-N,N-dimethyl-butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2-chlorophenoxy)-N,N-dimethyl-1-butanamine; oxalic acid IUPAC Name: 4-(4-bromo-2-chlorophenoxy)-N,N-dimethylbutan-1-amine; oxalic acid Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyl-dimethyl-amine; oxalic acid Formula: C14H19BrClNO5 MolecularWeight: 396.66136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCCOC1=C(C=C(C=C1)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrClNO.C2H2O4/c1-15(2)7-3-4-8-16-12-6-5-10(13)9-11(12)14;3-1(4)2(5)6/h5-6,9H,3-4,7-8H2,1-2H3;(H,3,4)(H,5,6)