ethanedioic acid; N-[2-(4-iodanylphenoxy)ethyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[2-(4-iodanylphenoxy)ethyl]butan-1-amine Openeye Name: N-[2-(4-iodophenoxy)ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-(4-iodophenoxy)ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-(4-iodophenoxy)ethyl]butan-1-amine; oxalic acid Traditional Name: butyl-[2-(4-iodophenoxy)ethyl]amine; oxalic acid Formula: C14H20INO5 MolecularWeight: 409.21677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC1=CC=C(C=C1)I.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOC1=CC=C(C=C1)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18INO.C2H2O4/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12;3-1(4)2(5)6/h4-7,14H,2-3,8-10H2,1H3;(H,3,4)(H,5,6)