(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO7S/c1-12(2)28-18(22)11-27-20(24)15-7-5-4-6-14(15)19(23)13-8-9-17(29-3)16(10-13)21(25)26/h4-10,12H,11H2,1-3H3