(3,3-dimethyl-2-oxidanylidene-butyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7S/c1-14(2,3)12(16)8-22-13(17)9-5-6-11(23(4,20)21)10(7-9)15(18)19/h5-7H,8H2,1-4H3