[4,4,6,6-tetramethyl-3,5-bis(oxidanylidene)cyclohexen-1-yl] 4-methylsulfonyloxy-2-nitro-benzoate

Systemtic Name: [4,4,6,6-tetramethyl-3,5-bis(oxidanylidene)cyclohexen-1-yl] 4-methylsulfonyloxy-2-nitro-benzoate Openeye Name: (4,4,6,6-tetramethyl-3,5-dioxo-cyclohexen-1-yl) 4-methylsulfonyloxy-2-nitro-benzoate CAS Name: 4-methylsulfonyloxy-2-nitrobenzoic acid (4,4,6,6-tetramethyl-3,5-dioxo-1-cyclohexenyl) ester IUPAC Name: (4,4,6,6-tetramethyl-3,5-dioxocyclohexen-1-yl) 4-methylsulfonyloxy-2-nitrobenzoate Traditional Name: 4-methylsulfonyloxy-2-nitro-benzoic acid (3,5-diketo-4,4,6,6-tetramethyl-cyclohexen-1-yl) ester Formula: C18H19NO9S MolecularWeight: 425.40976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC(=O)C(C1=O)(C)C)OC(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=CC(=O)C(C1=O)(C)C)OC(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H19NO9S/c1-17(2)13(20)9-14(18(3,4)16(17)22)27-15(21)11-7-6-10(28-29(5,25)26)8-12(11)19(23)24/h6-9H,1-5H3