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

Systemtic Name: [4-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-3-nitro-phenyl] methanesulfonate Openeye Name: [4-(2,6-dioxocyclohexanecarbonyl)-3-nitro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(2,6-dioxocyclohexyl)-oxomethyl]-3-nitrophenyl] ester IUPAC Name: [4-(2,6-dioxocyclohexanecarbonyl)-3-nitrophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2,6-diketocyclohexanecarbonyl)-3-nitro-phenyl] ester Formula: C14H13NO8S MolecularWeight: 355.31992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO8S/c1-24(21,22)23-8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3