[2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] 2-methylbutan-2-yl hydrogen phosphate

Systemtic Name: [2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl] 2-methylbutan-2-yl hydrogen phosphate Openeye Name: [2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl] 1,1-dimethylpropyl hydrogen phosphate CAS Name: [2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl] 2-methylbutan-2-yl hydrogen phosphate IUPAC Name: [2-tert-butyl-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl] 2-methylbutan-2-yl hydrogen phosphate Traditional Name: tert-amyl [2-tert-butyl-3-keto-5-(4-mesylphenyl)pyridazin-4-yl] hydrogen phosphate Formula: C20H29N2O7PS MolecularWeight: 472.492221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OP(=O)(O)OC1=C(C=NN(C1=O)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C)(C)OP(=O)(O)OC1=C(C=NN(C1=O)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H29N2O7PS/c1-8-20(5,6)29-30(24,25)28-17-16(13-21-22(18(17)23)19(2,3)4)14-9-11-15(12-10-14)31(7,26)27/h9-13H,8H2,1-7H3,(H,24,25)