[3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(p-tolylsulfonyloxymethyl)-1-adamantyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl ester IUPAC Name: [3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(tosyloxymethyl)-1-adamantyl]methyl ester Formula: C26H32O6S2 MolecularWeight: 504.65868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)(C3)COS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)(C3)COS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H32O6S2/c1-19-3-7-23(8-4-19)33(27,28)31-17-25-12-21-11-22(13-25)15-26(14-21,16-25)18-32-34(29,30)24-9-5-20(2)6-10-24/h3-10,21-22H,11-18H2,1-2H3