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

Systemtic Name: 3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonyl-4-methyl-benzoic acid Formula: C14H12N2O8S MolecularWeight: 368.31868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O

InChI

InChI=1S/C14H12N2O8S/c1-8-2-3-9(14(20)21)6-10(8)25(22,23)16-12(17)5-4-11(15-16)24-7-13(18)19/h2-6H,7H2,1H3,(H,18,19)(H,20,21)