(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate Openeye Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester IUPAC Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=NN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC=NN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O3S/c1-19-14-16-22(17-15-19)32(29,30)31-26-23-13-8-18-27-28(23)25(21-11-6-3-7-12-21)24(26)20-9-4-2-5-10-20/h2-18H,1H3