1-[3-(2-bromanylphenoxy)propyl]azepane; ethanedioic acid

Systemtic Name: 1-[3-(2-bromanylphenoxy)propyl]azepane; ethanedioic acid Openeye Name: 1-[3-(2-bromophenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(2-bromophenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(2-bromophenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(2-bromophenoxy)propyl]azepane; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=CC=C2Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=CC=C2Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c16-14-8-3-4-9-15(14)18-13-7-12-17-10-5-1-2-6-11-17;3-1(4)2(5)6/h3-4,8-9H,1-2,5-7,10-13H2;(H,3,4)(H,5,6)