3-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylpropanoic acid Openeye Name: 3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanoic acid CAS Name: 3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanoic acid IUPAC Name: 3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanoic acid Traditional Name: 3-[5-(6-keto-1H-pyridazin-3-yl)-2-methyl-phenyl]sulfonylpropionic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-9-2-3-10(11-4-5-13(17)16-15-11)8-12(9)22(20,21)7-6-14(18)19/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)