N'-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]ethane-1,2-diamine; ethanedioic acid

Systemtic Name: N'-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-[3-(4-bromo-2-chloro-phenoxy)propyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[3-(4-bromo-2-chlorophenoxy)propyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[3-(4-bromo-2-chlorophenoxy)propyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[3-(4-bromo-2-chloro-phenoxy)propyl]amine; oxalic acid Formula: C13H18BrClN2O5 MolecularWeight: 397.64942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)OCCCNCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)OCCCNCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16BrClN2O.C2H2O4/c12-9-2-3-11(10(13)8-9)16-7-1-5-15-6-4-14;3-1(4)2(5)6/h2-3,8,15H,1,4-7,14H2;(H,3,4)(H,5,6)