3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonylbenzoic acid Formula: C13H10N2O8S MolecularWeight: 354.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O8S/c16-11-5-4-10(23-7-12(17)18)14-15(11)24(21,22)9-3-1-2-8(6-9)13(19)20/h1-6H,7H2,(H,17,18)(H,19,20)