2-[1-(3-chlorophenyl)-5-(2-methyl-2-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinate

Systemtic Name: 2-[1-(3-chlorophenyl)-5-(2-methyl-2-oxidanyl-propoxy)-6-oxidanylidene-pyridazin-4-yl]benzenesulfinate Openeye Name: 2-[1-(3-chlorophenyl)-5-(2-hydroxy-2-methyl-propoxy)-6-oxo-pyridazin-4-yl]benzenesulfinate CAS Name: 2-[1-(3-chlorophenyl)-5-(2-hydroxy-2-methylpropoxy)-6-oxo-4-pyridazinyl]benzenesulfinate IUPAC Name: 2-[1-(3-chlorophenyl)-5-(2-hydroxy-2-methylpropoxy)-6-oxopyridazin-4-yl]benzenesulfinate Traditional Name: 2-[1-(3-chlorophenyl)-5-(2-hydroxy-2-methyl-propoxy)-6-keto-pyridazin-4-yl]benzenesulfinate Formula: C20H18ClN2O5S- MolecularWeight: 433.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3S(=O)[O-])O

Isomeric SMILES

CC(C)(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3S(=O)[O-])O

InChI

InChI=1S/C20H19ClN2O5S/c1-20(2,25)12-28-18-16(15-8-3-4-9-17(15)29(26)27)11-22-23(19(18)24)14-7-5-6-13(21)10-14/h3-11,25H,12H2,1-2H3,(H,26,27)/p-1