tert-butyl 2-methylsulfanyl-5-nitro-benzoate

Systemtic Name: tert-butyl 2-methylsulfanyl-5-nitro-benzoate Openeye Name: tert-butyl 2-methylsulfanyl-5-nitro-benzoate CAS Name: 2-(methylthio)-5-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methylsulfanyl-5-nitrobenzoate Traditional Name: 2-(methylthio)-5-nitro-benzoic acid tert-butyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C12H15NO4S/c1-12(2,3)17-11(14)9-7-8(13(15)16)5-6-10(9)18-4/h5-7H,1-4H3