4-[[4-[(E)-[2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-2,6-bis(iodanyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(E)-[2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-2,6-bis(iodanyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]-2,6-diiodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-(2,5-diketoimidazolidin-4-ylidene)methyl]-2,6-diiodo-phenoxy]methyl]benzoic acid Formula: C18H12I2N2O5 MolecularWeight: 590.10722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2I)C=C3C(=O)NC(=O)N3)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2I)/C=C/3\C(=O)NC(=O)N3)I)C(=O)O

InChI

InChI=1S/C18H12I2N2O5/c19-12-5-10(7-14-16(23)22-18(26)21-14)6-13(20)15(12)27-8-9-1-3-11(4-2-9)17(24)25/h1-7H,8H2,(H,24,25)(H2,21,22,23,26)/b14-7+