3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-2-methoxy-benzoic acid

Systemtic Name: 3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-2-methoxy-benzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonyl-2-methoxy-benzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]-2-methoxybenzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonyl-2-methoxybenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonyl-2-methoxy-benzoic acid Formula: C14H12N2O9S MolecularWeight: 384.31808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O)C(=O)O

InChI

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