1-(4-nitrophenyl)-2-(thiolan-1-ium-1-yl)ethanone chloride

Systemtic Name: 1-(4-nitrophenyl)-2-(thiolan-1-ium-1-yl)ethanone chloride Openeye Name: 1-(4-nitrophenyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone chloride CAS Name: 1-(4-nitrophenyl)-2-(1-thiolan-1-iumyl)ethanone chloride IUPAC Name: 1-(4-nitrophenyl)-2-(thiolan-1-ium-1-yl)ethanone chloride Traditional Name: 1-(4-nitrophenyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone chloride Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC[S+](C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H14NO3S.ClH/c14-12(9-17-7-1-2-8-17)10-3-5-11(6-4-10)13(15)16;/h3-6H,1-2,7-9H2;1H/q+1;/p-1