2-[4-(2-bromanyl-4-methyl-phenoxy)butylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[4-(2-bromanyl-4-methyl-phenoxy)butylamino]ethanol; ethanedioic acid Openeye Name: 2-[4-(2-bromo-4-methyl-phenoxy)butylamino]ethanol; oxalic acid CAS Name: 2-[4-(2-bromo-4-methylphenoxy)butylamino]ethanol; oxalic acid IUPAC Name: 2-[4-(2-bromo-4-methylphenoxy)butylamino]ethanol; oxalic acid Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butylamino]ethanol; oxalic acid Formula: C15H22BrNO6 MolecularWeight: 392.24228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2.C2H2O4/c1-11-4-5-13(12(14)10-11)17-9-3-2-6-15-7-8-16;3-1(4)2(5)6/h4-5,10,15-16H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)