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

Systemtic Name: ethanedioic acid; 1-[4-(2-iodanyl-4-methyl-phenoxy)butyl]azepane Openeye Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]azepane; oxalic acid Formula: C19H28INO5 MolecularWeight: 477.33379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2CCCCCC2)I.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2CCCCCC2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26INO.C2H2O4/c1-15-8-9-17(16(18)14-15)20-13-7-6-12-19-10-4-2-3-5-11-19;3-1(4)2(5)6/h8-9,14H,2-7,10-13H2,1H3;(H,3,4)(H,5,6)