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

Systemtic Name: [4-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] dihydrogen phosphate Openeye Name: [3-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate CAS Name: [4-[[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methylbutan-2-yl] dihydrogen phosphate IUPAC Name: [4-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methylbutan-2-yl] dihydrogen phosphate Traditional Name: [3-[2-(3,4-dichlorophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-1,1-dimethyl-propyl] dihydrogen phosphate Formula: C22H23Cl2N2O8PS MolecularWeight: 577.371381

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23Cl2N2O8PS/c1-22(2,34-35(28,29)30)10-11-33-20-17(14-4-7-16(8-5-14)36(3,31)32)13-25-26(21(20)27)15-6-9-18(23)19(24)12-15/h4-9,12-13H,10-11H2,1-3H3,(H2,28,29,30)