ethanedioic acid; 1-[2-(4-iodanylphenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(4-iodanylphenoxy)ethyl]azepane Openeye Name: 1-[2-(4-iodophenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-iodophenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-iodophenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(4-iodophenoxy)ethyl]azepane; oxalic acid Formula: C16H22INO5 MolecularWeight: 435.25405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20INO.C2H2O4/c15-13-5-7-14(8-6-13)17-12-11-16-9-3-1-2-4-10-16;3-1(4)2(5)6/h5-8H,1-4,9-12H2;(H,3,4)(H,5,6)