2-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propylamino]ethanol; ethanedioic acid Openeye Name: 2-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propylamino]ethanol; oxalic acid CAS Name: 2-[3-(2-bromo-6-chloro-4-methylphenoxy)propylamino]ethanol; oxalic acid IUPAC Name: 2-[3-(2-bromo-6-chloro-4-methylphenoxy)propylamino]ethanol; oxalic acid Traditional Name: 2-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propylamino]ethanol; oxalic acid Formula: C14H19BrClNO6 MolecularWeight: 412.66076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrClNO2.C2H2O4/c1-9-7-10(13)12(11(14)8-9)17-6-2-3-15-4-5-16;3-1(4)2(5)6/h7-8,15-16H,2-6H2,1H3;(H,3,4)(H,5,6)