ethanedioic acid; 2-(2-iodanyl-4-methyl-phenoxy)-N-methyl-ethanamine

Systemtic Name: ethanedioic acid; 2-(2-iodanyl-4-methyl-phenoxy)-N-methyl-ethanamine Openeye Name: 2-(2-iodo-4-methyl-phenoxy)-N-methyl-ethanamine; oxalic acid CAS Name: 2-(2-iodo-4-methylphenoxy)-N-methylethanamine; oxalic acid IUPAC Name: 2-(2-iodo-4-methylphenoxy)-N-methylethanamine; oxalic acid Traditional Name: 2-(2-iodo-4-methyl-phenoxy)ethyl-methyl-amine; oxalic acid Formula: C12H16INO5 MolecularWeight: 381.16361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14INO.C2H2O4/c1-8-3-4-10(9(11)7-8)13-6-5-12-2;3-1(4)2(5)6/h3-4,7,12H,5-6H2,1-2H3;(H,3,4)(H,5,6)