[4-(4-nitrophenyl)sulfonyloxy-1-adamantyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-nitrophenyl)sulfonyloxy-1-adamantyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-nitrophenyl)sulfonyloxy-1-adamantyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-nitrophenyl)sulfonyloxy-1-adamantyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfonyloxy-1-adamantyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-nosyloxy-1-adamantyl)methyl ester Formula: C24H27NO8S2 MolecularWeight: 521.60308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)C(C(C4)C3)OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)C(C(C4)C3)OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H27NO8S2/c1-16-2-6-21(7-3-16)34(28,29)32-15-24-12-17-10-18(13-24)23(19(11-17)14-24)33-35(30,31)22-8-4-20(5-9-22)25(26)27/h2-9,17-19,23H,10-15H2,1H3