ethanedioic acid; N-prop-2-enyl-3-[2,4,6-tris(chloranyl)phenoxy]propan-1-amine

Systemtic Name: ethanedioic acid; N-prop-2-enyl-3-[2,4,6-tris(chloranyl)phenoxy]propan-1-amine Openeye Name: N-allyl-3-(2,4,6-trichlorophenoxy)propan-1-amine; oxalic acid CAS Name: oxalic acid; N-prop-2-enyl-3-(2,4,6-trichlorophenoxy)-1-propanamine IUPAC Name: oxalic acid; N-prop-2-enyl-3-(2,4,6-trichlorophenoxy)propan-1-amine Traditional Name: allyl-[3-(2,4,6-trichlorophenoxy)propyl]amine; oxalic acid Formula: C14H16Cl3NO5 MolecularWeight: 384.63954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCCOC1=C(C=C(C=C1Cl)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCNCCCOC1=C(C=C(C=C1Cl)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14Cl3NO.C2H2O4/c1-2-4-16-5-3-6-17-12-10(14)7-9(13)8-11(12)15;3-1(4)2(5)6/h2,7-8,16H,1,3-6H2;(H,3,4)(H,5,6)