1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]azepane; ethanedioic acid

Systemtic Name: 1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(2-bromo-4-chloro-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(2-bromo-4-chlorophenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(2-bromo-4-chlorophenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-bromo-4-chloro-phenoxy)ethyl]azepane; oxalic acid Formula: C16H21BrClNO5 MolecularWeight: 422.69864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19BrClNO.C2H2O4/c15-13-11-12(16)5-6-14(13)18-10-9-17-7-3-1-2-4-8-17;3-1(4)2(5)6/h5-6,11H,1-4,7-10H2;(H,3,4)(H,5,6)