[6-(4-methylphenyl)sulfonyloxy-2-adamantyl] 4-methylbenzenesulfonate

Systemtic Name: [6-(4-methylphenyl)sulfonyloxy-2-adamantyl] 4-methylbenzenesulfonate Openeye Name: [6-(p-tolylsulfonyloxy)-2-adamantyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-methylphenyl)sulfonyloxy-2-adamantyl] ester IUPAC Name: [6-(4-methylphenyl)sulfonyloxy-2-adamantyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-tosyloxy-2-adamantyl) ester Formula: C24H28O6S2 MolecularWeight: 476.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C3)C4OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C3)C4OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C24H28O6S2/c1-15-3-7-21(8-4-15)31(25,26)29-23-17-11-19-13-18(23)14-20(12-17)24(19)30-32(27,28)22-9-5-16(2)6-10-22/h3-10,17-20,23-24H,11-14H2,1-2H3