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

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

Systemtic Name:methyl 3-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylpropanoate
Openeye Name:methyl 3-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylpropanoate
CAS Name:3-[(6-cyclohexylsulfonyl-1-oxido-3-pyridazin-1-iumyl)sulfonyl]propanoic acid methyl ester
IUPAC Name:methyl 3-(6-cyclohexylsulfonyl-1-oxidopyridazin-1-ium-3-yl)sulfonylpropanoate
Traditional Name:3-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylpropionic acid methyl ester
Formula: C14H20N2O7S2
MolecularWeight: 392.4478
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=N[N+](=C(C=C1)S(=O)(=O)C2CCCCC2)[O-]


Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=N[N+](=C(C=C1)S(=O)(=O)C2CCCCC2)[O-]


InChI

InChI=1S/C14H20N2O7S2/c1-23-14(17)9-10-24(19,20)12-7-8-13(16(18)15-12)25(21,22)11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3


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