(8-oxidanylidene-7H-pyridazino[4,5-d]pyridazin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (8-oxidanylidene-7H-pyridazino[4,5-d]pyridazin-5-yl) 4-methylbenzenesulfonate Openeye Name: (8-oxo-7H-pyridazino[4,5-d]pyridazin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-oxo-7H-pyridazino[4,5-d]pyridazin-5-yl) ester IUPAC Name: (8-oxo-7H-pyridazino[4,5-d]pyridazin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-keto-7H-pyridazino[4,5-d]pyridazin-5-yl) ester Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=O)C3=CN=NC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=O)C3=CN=NC=C32

InChI

InChI=1S/C13H10N4O4S/c1-8-2-4-9(5-3-8)22(19,20)21-13-11-7-15-14-6-10(11)12(18)16-17-13/h2-7H,1H3,(H,16,18)