ethanedioic acid; 3-(4-iodanylphenoxy)-N,N-dimethyl-propan-1-amine

Systemtic Name: ethanedioic acid; 3-(4-iodanylphenoxy)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(4-iodophenoxy)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(4-iodophenoxy)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-(4-iodophenoxy)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(4-iodophenoxy)propyl-dimethyl-amine; oxalic acid Formula: C13H18INO5 MolecularWeight: 395.19019

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)I.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16INO.C2H2O4/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11;3-1(4)2(5)6/h4-7H,3,8-9H2,1-2H3;(H,3,4)(H,5,6)