1-[3-(4-bromanyl-2-chloranyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanyl-2-chloranyl-phenoxy)propylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-chloro-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(4-bromo-2-chlorophenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-chlorophenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(4-bromo-2-chloro-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C14H19BrClNO6 MolecularWeight: 412.66076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCOC1=C(C=C(C=C1)Br)Cl)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCOC1=C(C=C(C=C1)Br)Cl)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrClNO2.C2H2O4/c1-9(16)8-15-5-2-6-17-12-4-3-10(13)7-11(12)14;3-1(4)2(5)6/h3-4,7,9,15-16H,2,5-6,8H2,1H3;(H,3,4)(H,5,6)