(2-oxidanylidenecyclohexyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-oxocyclohexyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-ketocyclohexyl) ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO5S/c1-21-13-7-6-9(8-10(13)15(18)19)14(17)20-12-5-3-2-4-11(12)16/h6-8,12H,2-5H2,1H3