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

Systemtic Name: 3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonyl-4-methoxy-benzoic acid Formula: C14H12N2O9S MolecularWeight: 384.31808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O9S/c1-24-9-3-2-8(14(20)21)6-10(9)26(22,23)16-12(17)5-4-11(15-16)25-7-13(18)19/h2-6H,7H2,1H3,(H,18,19)(H,20,21)