(2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C13H15NO8S MolecularWeight: 345.3251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO8S/c1-8(2)22-12(15)7-21-13(16)9-4-5-11(23(3,19)20)10(6-9)14(17)18/h4-6,8H,7H2,1-3H3