[4-[2-(3,5-dimethyl-4-methylsulfonyloxy-phenyl)propan-2-yl]-2,6-dimethyl-phenyl] methanesulfonate

Systemtic Name: [4-[2-(3,5-dimethyl-4-methylsulfonyloxy-phenyl)propan-2-yl]-2,6-dimethyl-phenyl] methanesulfonate Openeye Name: [4-[1-(3,5-dimethyl-4-methylsulfonyloxy-phenyl)-1-methyl-ethyl]-2,6-dimethyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-(3,5-dimethyl-4-methylsulfonyloxyphenyl)propan-2-yl]-2,6-dimethylphenyl] ester IUPAC Name: [4-[2-(3,5-dimethyl-4-methylsulfonyloxyphenyl)propan-2-yl]-2,6-dimethylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-(3,5-dimethyl-4-methylsulfonyloxy-phenyl)-1-methyl-ethyl]-2,6-dimethyl-phenyl] ester Formula: C21H28O6S2 MolecularWeight: 440.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C(C)(C)C2=CC(=C(C(=C2)C)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C)C)C(C)(C)C2=CC(=C(C(=C2)C)OS(=O)(=O)C)C

InChI

InChI=1S/C21H28O6S2/c1-13-9-17(10-14(2)19(13)26-28(7,22)23)21(5,6)18-11-15(3)20(16(4)12-18)27-29(8,24)25/h9-12H,1-8H3