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

Systemtic Name: 1-[4-(2-bromanyl-4-chloranyl-phenoxy)butyl]azepane; ethanedioic acid Openeye Name: 1-[4-(2-bromo-4-chloro-phenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(2-bromo-4-chlorophenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(2-bromo-4-chlorophenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(2-bromo-4-chloro-phenoxy)butyl]azepane; oxalic acid Formula: C18H25BrClNO5 MolecularWeight: 450.7518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23BrClNO.C2H2O4/c17-15-13-14(18)7-8-16(15)20-12-6-5-11-19-9-3-1-2-4-10-19;3-1(4)2(5)6/h7-8,13H,1-6,9-12H2;(H,3,4)(H,5,6)