(5-phenylmethoxy-2-adamantyl) 4-methylbenzenesulfonate

Systemtic Name: (5-phenylmethoxy-2-adamantyl) 4-methylbenzenesulfonate Openeye Name: (5-benzyloxy-2-adamantyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-phenylmethoxy-2-adamantyl) ester IUPAC Name: (5-phenylmethoxy-2-adamantyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzoxy-2-adamantyl) ester Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)OCC5=CC=CC=C5

InChI

InChI=1S/C24H28O4S/c1-17-7-9-22(10-8-17)29(25,26)28-23-20-11-19-12-21(23)15-24(13-19,14-20)27-16-18-5-3-2-4-6-18/h2-10,19-21,23H,11-16H2,1H3