[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C20H21NO7S/c1-11-8-12(2)19(14(4)13(11)3)17(22)10-28-20(23)15-6-7-18(29(5,26)27)16(9-15)21(24)25/h6-9H,10H2,1-5H3