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

Systemtic Name: [4-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] dihydrogen phosphate Openeye Name: [3-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate CAS Name: [4-[[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methylbutan-2-yl] dihydrogen phosphate IUPAC Name: [4-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methylbutan-2-yl] dihydrogen phosphate Traditional Name: [3-[2-(3-bromophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate Formula: C22H24BrN2O8PS MolecularWeight: 587.377321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)OP(=O)(O)O

Isomeric SMILES

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)OP(=O)(O)O

InChI

InChI=1S/C22H24BrN2O8PS/c1-22(2,33-34(27,28)29)11-12-32-20-19(15-7-9-18(10-8-15)35(3,30)31)14-24-25(21(20)26)17-6-4-5-16(23)13-17/h4-10,13-14H,11-12H2,1-3H3,(H2,27,28,29)