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

Systemtic Name: ethanedioic acid; 1-[4-(2-iodanyl-4-methyl-phenoxy)butyl]piperazine Openeye Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]piperazine; oxalic acid Formula: C17H25IN2O5 MolecularWeight: 464.29527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2CCNCC2)I.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2CCNCC2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23IN2O.C2H2O4/c1-13-4-5-15(14(16)12-13)19-11-3-2-8-18-9-6-17-7-10-18;3-1(4)2(5)6/h4-5,12,17H,2-3,6-11H2,1H3;(H,3,4)(H,5,6)