4-tert-butylsulfanyl-3-nitro-benzoate

Systemtic Name: 4-tert-butylsulfanyl-3-nitro-benzoate Openeye Name: 4-tert-butylsulfanyl-3-nitro-benzoate CAS Name: 4-(tert-butylthio)-3-nitrobenzoate IUPAC Name: 4-tert-butylsulfanyl-3-nitrobenzoate Traditional Name: 4-(tert-butylthio)-3-nitro-benzoate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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