6-butyl-1-(4-iodophenyl)-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid

Systemtic Name: 6-butyl-1-(4-iodophenyl)-4-oxidanylidene-pyridazine-3,5-dicarboxylic acid Openeye Name: 6-butyl-1-(4-iodophenyl)-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 6-butyl-1-(4-iodophenyl)-4-oxopyridazine-3,5-dicarboxylic acid IUPAC Name: 6-butyl-1-(4-iodophenyl)-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 6-butyl-1-(4-iodophenyl)-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C16H15IN2O5 MolecularWeight: 442.20517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)I)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)I)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15IN2O5/c1-2-3-4-11-12(15(21)22)14(20)13(16(23)24)18-19(11)10-7-5-9(17)6-8-10/h5-8H,2-4H2,1H3,(H,21,22)(H,23,24)