methyl 2-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylbenzoate

Systemtic Name: methyl 2-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylbenzoate Openeye Name: methyl 2-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylbenzoate CAS Name: 2-[(6-cyclohexylsulfonyl-1-oxido-3-pyridazin-1-iumyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-(6-cyclohexylsulfonyl-1-oxidopyridazin-1-ium-3-yl)sulfonylbenzoate Traditional Name: 2-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylbenzoic acid methyl ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3CCCCC3)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3CCCCC3)[O-]

InChI

InChI=1S/C18H20N2O7S2/c1-27-18(21)14-9-5-6-10-15(14)29(25,26)16-11-12-17(20(22)19-16)28(23,24)13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3