[3-nitro-4-[3,3,5-trimethyl-2,6-bis(oxidanylidene)cyclohexyl]carbonyl-phenyl] methanesulfonate

Systemtic Name: [3-nitro-4-[3,3,5-trimethyl-2,6-bis(oxidanylidene)cyclohexyl]carbonyl-phenyl] methanesulfonate Openeye Name: [3-nitro-4-(3,3,5-trimethyl-2,6-dioxo-cyclohexanecarbonyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-nitro-4-[oxo-(3,3,5-trimethyl-2,6-dioxocyclohexyl)methyl]phenyl] ester IUPAC Name: [3-nitro-4-(3,3,5-trimethyl-2,6-dioxocyclohexanecarbonyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,6-diketo-3,3,5-trimethyl-cyclohexanecarbonyl)-3-nitro-phenyl] ester Formula: C17H19NO8S MolecularWeight: 397.39966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1CC(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])(C)C

InChI

InChI=1S/C17H19NO8S/c1-9-8-17(2,3)16(21)13(14(9)19)15(20)11-6-5-10(26-27(4,24)25)7-12(11)18(22)23/h5-7,9,13H,8H2,1-4H3