2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethylamino]ethanol; ethanedioic acid Openeye Name: 2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethylamino]ethanol; oxalic acid CAS Name: 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethylamino]ethanol; oxalic acid Traditional Name: 2-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethylamino]ethanol; oxalic acid Formula: C13H17BrClNO6 MolecularWeight: 398.63418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrClNO2.C2H2O4/c1-8-6-9(12)11(10(13)7-8)16-5-3-14-2-4-15;3-1(4)2(5)6/h6-7,14-15H,2-5H2,1H3;(H,3,4)(H,5,6)