N'-[4-(2-bromanyl-4-methyl-phenoxy)butyl]ethane-1,2-diamine; ethanedioic acid

Systemtic Name: N'-[4-(2-bromanyl-4-methyl-phenoxy)butyl]ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-[4-(2-bromo-4-methyl-phenoxy)butyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[4-(2-bromo-4-methylphenoxy)butyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[4-(2-bromo-4-methylphenoxy)butyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[4-(2-bromo-4-methyl-phenoxy)butyl]amine; oxalic acid Formula: C15H23BrN2O5 MolecularWeight: 391.25752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNCCN)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNCCN)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21BrN2O.C2H2O4/c1-11-4-5-13(12(14)10-11)17-9-3-2-7-16-8-6-15;3-1(4)2(5)6/h4-5,10,16H,2-3,6-9,15H2,1H3;(H,3,4)(H,5,6)