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

Systemtic Name: ethanedioic acid; 1-[4-(4-iodanylphenoxy)butyl]azepane Openeye Name: 1-[4-(4-iodophenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(4-iodophenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(4-iodophenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(4-iodophenoxy)butyl]azepane; oxalic acid Formula: C18H26INO5 MolecularWeight: 463.30721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24INO.C2H2O4/c17-15-7-9-16(10-8-15)19-14-6-5-13-18-11-3-1-2-4-12-18;3-1(4)2(5)6/h7-10H,1-6,11-14H2;(H,3,4)(H,5,6)