[4-[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] dihydrogen phosphate

Systemtic Name: [4-[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] dihydrogen phosphate Openeye Name: [3-[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate CAS Name: [4-[[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methylbutan-2-yl] dihydrogen phosphate IUPAC Name: [4-[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methylbutan-2-yl] dihydrogen phosphate Traditional Name: [3-[2-tert-butyl-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate Formula: C20H29N2O8PS MolecularWeight: 488.491621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)OCCC(C)(C)OP(=O)(O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)OCCC(C)(C)OP(=O)(O)O

InChI

InChI=1S/C20H29N2O8PS/c1-19(2,3)22-18(23)17(29-12-11-20(4,5)30-31(24,25)26)16(13-21-22)14-7-9-15(10-8-14)32(6,27)28/h7-10,13H,11-12H2,1-6H3,(H2,24,25,26)