[4-(4-nitrophenyl)sulfonyloxy-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-nitrophenyl)sulfonyloxy-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-nitrophenyl)sulfonyloxy-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-nitrophenyl)sulfonyloxy-1-bicyclo[2.2.2]octanyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfonyloxy-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-nosyloxy-1-bicyclo[2.2.2]octanyl)methyl ester Formula: C22H25NO8S2 MolecularWeight: 495.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO8S2/c1-17-2-6-19(7-3-17)32(26,27)30-16-21-10-13-22(14-11-21,15-12-21)31-33(28,29)20-8-4-18(5-9-20)23(24)25/h2-9H,10-16H2,1H3