(E)-but-2-enedioic acid; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole Openeye Name: fumaric acid; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole CAS Name: (E)-2-butenedioic acid; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole Traditional Name: fumaric acid; 5-[3-(4-iodobenzyl)oxypropyl]-1H-imidazole Formula: C17H19IN2O5 MolecularWeight: 458.24763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCCCC2=CN=CN2)I.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COCCCC2=CN=CN2)I.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15IN2O.C4H4O4/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13;5-3(6)1-2-4(7)8/h3-6,8,10H,1-2,7,9H2,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+