1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]azepane; ethanedioic acid

Systemtic Name: 1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]azepane; ethanedioic acid Openeye Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]azepane; oxalic acid Formula: C17H23BrClNO5 MolecularWeight: 436.72522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=C(C=C(C=C2)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21BrClNO.C2H2O4/c16-14-12-13(17)6-7-15(14)19-11-5-10-18-8-3-1-2-4-9-18;3-1(4)2(5)6/h6-7,12H,1-5,8-11H2;(H,3,4)(H,5,6)