4-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylbenzoic acid

Systemtic Name: 4-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylbenzoic acid Openeye Name: 4-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylbenzoic acid CAS Name: 4-[(6-cyclohexylsulfonyl-1-oxido-3-pyridazin-1-iumyl)sulfonyl]benzoic acid IUPAC Name: 4-(6-cyclohexylsulfonyl-1-oxidopyridazin-1-ium-3-yl)sulfonylbenzoic acid Traditional Name: 4-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylbenzoic acid Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2=[N+](N=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)[O-]

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2=[N+](N=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)[O-]

InChI

InChI=1S/C17H18N2O7S2/c20-17(21)12-6-8-14(9-7-12)27(23,24)15-10-11-16(19(22)18-15)28(25,26)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,20,21)