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

Systemtic Name: 1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]azepane; ethanedioic acid Openeye Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]azepane; oxalic acid Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCN2CCCCCC2)C)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCN2CCCCCC2)C)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24BrNO.C2H2O4/c1-13-11-15(17)12-14(2)16(13)19-10-9-18-7-5-3-4-6-8-18;3-1(4)2(5)6/h11-12H,3-10H2,1-2H3;(H,3,4)(H,5,6)