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1-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethoxy]ethyl]azepane; ethanedioic acid
1-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethoxy]ethyl]azepane; ethanedioic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)CCOCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O
Isomeric SMILES
C1CCCN(CC1)CCOCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O
InChI
InChI=1S/C16H23BrClNO2.C2H2O4/c17-14-5-6-16(15(18)13-14)21-12-11-20-10-9-19-7-3-1-2-4-8-19;3-1(4)2(5)6/h5-6,13H,1-4,7-12H2;(H,3,4)(H,5,6)
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