(2,3,4,5,6-pentamethylphenyl)methyl 4-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(p-tolylsulfonyloxy)cyclohexanecarboxylate CAS Name: 4-(4-methylphenyl)sulfonyloxy-1-cyclohexanecarboxylic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate Traditional Name: 4-tosyloxycyclohexanecarboxylic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C26H34O5S MolecularWeight: 458.61016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)C(=O)OCC3=C(C(=C(C(=C3C)C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)C(=O)OCC3=C(C(=C(C(=C3C)C)C)C)C

InChI

InChI=1S/C26H34O5S/c1-16-7-13-24(14-8-16)32(28,29)31-23-11-9-22(10-12-23)26(27)30-15-25-20(5)18(3)17(2)19(4)21(25)6/h7-8,13-14,22-23H,9-12,15H2,1-6H3