3-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-(dicyanomethylidene)-1-pyridazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid Formula: C17H12N4O8S MolecularWeight: 432.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=C(C#N)C#N)C=CC(=N2)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=C(C#N)C#N)C=CC(=N2)OCC(=O)O

InChI

InChI=1S/C17H12N4O8S/c1-28-13-4-2-10(17(24)25)6-14(13)30(26,27)21-12(11(7-18)8-19)3-5-15(20-21)29-9-16(22)23/h2-6H,9H2,1H3,(H,22,23)(H,24,25)