ethanedioic acid; 1-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(2-iodanyl-4-methyl-phenoxy)ethyl]azepane Openeye Name: 1-[2-(2-iodo-4-methyl-phenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(2-iodo-4-methylphenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(2-iodo-4-methylphenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(2-iodo-4-methyl-phenoxy)ethyl]azepane; oxalic acid Formula: C17H24INO5 MolecularWeight: 449.28063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CCCCCC2)I.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CCCCCC2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22INO.C2H2O4/c1-13-6-7-15(14(16)12-13)18-11-10-17-8-4-2-3-5-9-17;3-1(4)2(5)6/h6-7,12H,2-5,8-11H2,1H3;(H,3,4)(H,5,6)