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

Systemtic Name: 3-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonyl-4-chloro-benzoic acid CAS Name: 3-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]-4-chlorobenzoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonyl-4-chlorobenzoic acid Traditional Name: 3-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonyl-4-chloro-benzoic acid Formula: C13H9ClN2O8S MolecularWeight: 388.73716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2C(=O)C=CC(=N2)OCC(=O)O)Cl

InChI

InChI=1S/C13H9ClN2O8S/c14-8-2-1-7(13(20)21)5-9(8)25(22,23)16-11(17)4-3-10(15-16)24-6-12(18)19/h1-5H,6H2,(H,18,19)(H,20,21)