[4-(3-nitrocyclohexyl)sulfonyloxy-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(3-nitrocyclohexyl)sulfonyloxy-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-nitrocyclohexyl)sulfonyloxy-1,1-dioxo-thiolan-3-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-(3-nitrocyclohexyl)sulfonyloxy-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(3-nitrocyclohexyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [1,1-diketo-4-(3-nitrocyclohexyl)sulfonyloxy-thiolan-3-yl] ester Formula: C16H20N2O12S3 MolecularWeight: 528.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)S(=O)(=O)OC2CS(=O)(=O)CC2OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(CC(C1)S(=O)(=O)OC2CS(=O)(=O)CC2OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O12S3/c19-17(20)11-3-1-5-13(7-11)32(25,26)29-15-9-31(23,24)10-16(15)30-33(27,28)14-6-2-4-12(8-14)18(21)22/h1,3,5,7,12,14-16H,2,4,6,8-10H2