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

Systemtic Name: N'-[3-(2-bromanyl-4-methyl-phenoxy)propyl]ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-[3-(2-bromo-4-methyl-phenoxy)propyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[3-(2-bromo-4-methylphenoxy)propyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[3-(2-bromo-4-methylphenoxy)propyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[3-(2-bromo-4-methyl-phenoxy)propyl]amine; oxalic acid Formula: C14H21BrN2O5 MolecularWeight: 377.23094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19BrN2O.C2H2O4/c1-10-3-4-12(11(13)9-10)16-8-2-6-15-7-5-14;3-1(4)2(5)6/h3-4,9,15H,2,5-8,14H2,1H3;(H,3,4)(H,5,6)