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

Systemtic Name: ethanedioic acid; 1-[2-[2-(2-iodanyl-4-methyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine Openeye Name: 1-[2-[2-(2-iodo-4-methyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[2-[2-(2-iodo-4-methyl-phenoxy)ethoxy]ethyl]-4-methyl-piperazine; oxalic acid Formula: C18H27IN2O6 MolecularWeight: 494.32125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCOCCN2CCN(CC2)C)I.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCOCCN2CCN(CC2)C)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25IN2O2.C2H2O4/c1-14-3-4-16(15(17)13-14)21-12-11-20-10-9-19-7-5-18(2)6-8-19;3-1(4)2(5)6/h3-4,13H,5-12H2,1-2H3;(H,3,4)(H,5,6)