5-tert-butylsulfanyl-2-nitro-benzoate

Systemtic Name: 5-tert-butylsulfanyl-2-nitro-benzoate Openeye Name: 5-tert-butylsulfanyl-2-nitro-benzoate CAS Name: 5-(tert-butylthio)-2-nitrobenzoate IUPAC Name: 5-tert-butylsulfanyl-2-nitrobenzoate Traditional Name: 5-(tert-butylthio)-2-nitro-benzoate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-11(2,3)17-7-4-5-9(12(15)16)8(6-7)10(13)14/h4-6H,1-3H3,(H,13,14)/p-1