3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]sulfonyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]sulfonyl]-4-methoxy-benzoic acid Openeye Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]-4-methoxy-benzoic acid CAS Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]-4-methoxybenzoic acid Traditional Name: 3-[(3,6-diketo-1H-pyridazin-2-yl)sulfonyl]-4-methoxy-benzoic acid Formula: C12H10N2O7S MolecularWeight: 326.282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=O)N2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2C(=O)C=CC(=O)N2

InChI

InChI=1S/C12H10N2O7S/c1-21-8-3-2-7(12(17)18)6-9(8)22(19,20)14-11(16)5-4-10(15)13-14/h2-6H,1H3,(H,13,15)(H,17,18)