[(1S)-2-oxidanylidenecyclopentyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclopentyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)O[C@H]2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO5S/c1-20-12-6-5-8(7-9(12)14(17)18)13(16)19-11-4-2-3-10(11)15/h5-7,11H,2-4H2,1H3/t11-/m0/s1