[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-14(2,3)21-12(16)8-20-13(17)9-5-6-11(22-4)10(7-9)15(18)19/h5-7H,8H2,1-4H3