1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]azepane; ethanedioic acid

Systemtic Name: 1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]azepane; oxalic acid Formula: C17H23BrClNO5 MolecularWeight: 436.72522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCN2CCCCCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCN2CCCCCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21BrClNO.C2H2O4/c1-12-10-13(16)15(14(17)11-12)19-9-8-18-6-4-2-3-5-7-18;3-1(4)2(5)6/h10-11H,2-9H2,1H3;(H,3,4)(H,5,6)