4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-bis(iodanyl)benzoic acid Openeye Name: 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-diiodo-benzoic acid CAS Name: 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-diiodobenzoic acid IUPAC Name: 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-diiodobenzoic acid Traditional Name: 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3,5-diiodo-benzoic acid Formula: C16H12I2N2O2 MolecularWeight: 518.08762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=C(C=C(C=C3I)C(=O)O)I

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=C(C=C(C=C3I)C(=O)O)I

InChI

InChI=1S/C16H12I2N2O2/c1-7-3-12-13(4-8(7)2)20-15(19-12)14-10(17)5-9(16(21)22)6-11(14)18/h3-6H,1-2H3,(H,19,20)(H,21,22)